3,3-Difluorocyclobutanecarbonitrile - CAS 86770-80-1
Catalog: |
BB038064 |
Product Name: |
3,3-Difluorocyclobutanecarbonitrile |
CAS: |
86770-80-1 |
Synonyms: |
3,3-difluoro-1-cyclobutanecarbonitrile; 3,3-difluorocyclobutane-1-carbonitrile |
IUPAC Name: | 3,3-difluorocyclobutane-1-carbonitrile |
Description: | 3,3-Difluorocyclobutanecarbonitrile (CAS# 86770-80-1) is a useful research chemical. |
Molecular Weight: | 117.10 |
Molecular Formula: | C5H5F2N |
Canonical SMILES: | C1C(CC1(F)F)C#N |
InChI: | InChI=1S/C5H5F2N/c6-5(7)1-4(2-5)3-8/h4H,1-2H2 |
InChI Key: | RCXLAPBURAMYKG-UHFFFAOYSA-N |
MDL: | MFCD10001482 |
LogP: | 1.55528 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021204801-A1 | Difluorocyclohexyl derivatives as il-17 modulators | 20200407 |
WO-2020228756-A1 | Inhibitor containing bicyclic derivative, preparation method therefor and use thereof | 20190514 |
CN-112368283-A | Bicyclic derivative-containing inhibitor, preparation method and application thereof | 20190514 |
WO-2019149657-A1 | Benzyl-, (pyridin-3-yl)methyl- or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin o-acyl transferase (goat) inhibitors | 20180202 |
WO-2019149660-A1 | Triazolopyrimidine derivatives for use as ghrelin o-acyl transferase (goat) inhibitors | 20180202 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 117.03900549 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 117.03900549 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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