1-(3-Fluorophenyl)cyclopentanecarboxylic acid - CAS 214262-97-2
Catalog: |
BB016839 |
Product Name: |
1-(3-Fluorophenyl)cyclopentanecarboxylic acid |
CAS: |
214262-97-2 |
Synonyms: |
1-(3-fluorophenyl)-1-cyclopentanecarboxylic acid; 1-(3-fluorophenyl)cyclopentane-1-carboxylic acid |
IUPAC Name: | 1-(3-fluorophenyl)cyclopentane-1-carboxylic acid |
Description: | 1-(3-Fluorophenyl)cyclopentanecarboxylic acid (CAS# 214262-97-2) is a useful research chemical. |
Molecular Weight: | 208.23 |
Molecular Formula: | C12H13FO2 |
Canonical SMILES: | C1CCC(C1)(C2=CC(=CC=C2)F)C(=O)O |
InChI: | InChI=1S/C12H13FO2/c13-10-5-3-4-9(8-10)12(11(14)15)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,14,15) |
InChI Key: | RLAKVCCLVVITLS-UHFFFAOYSA-N |
Boiling Point: | 343.4 °C at 760 mmHg |
MDL: | MFCD00800624 |
LogP: | 2.72210 |
Publication Number | Title | Priority Date |
WO-2020048830-A1 | 5-aryl-3,9-diazaspiro[5.5]undecan-2-one compounds | 20180903 |
CA-3016303-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
JP-2019514840-A | Modulator of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
US-10118916-B2 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
US-2017305891-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.08995782 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.08995782 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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