2-Amino-3,3-difluoro-3-phenyl-1-propanol - CAS 75456-80-3

Catalog:	BB035334
Product Name:	2-Amino-3,3-difluoro-3-phenyl-1-propanol
CAS:	75456-80-3
Synonyms:	2-amino-3,3-difluoro-3-phenyl-1-propanol; 2-amino-3,3-difluoro-3-phenylpropan-1-ol

Technical Data

IUPAC Name:	2-amino-3,3-difluoro-3-phenylpropan-1-ol
Description:	2-Amino-3,3-difluoro-3-phenyl-1-propanol (CAS# 75456-80-3) is synthesized from cinnamyl alcohol (C442110). Cinnamyl alcohol is used as a fragrance ingredient and is a known a cause of allergic dermatitis in humans. Cinnamyl alcohol is also part of a group of cinnamic acid derivatives (for example: 4-Methoxycinnamic acid -M262150) that might be useful for the treatment of diabetes and obesity.
Molecular Weight:	187.19
Molecular Formula:	C9H11F2NO
Canonical SMILES:	C1=CC=C(C=C1)C(C(CO)N)(F)F
InChI:	InChI=1S/C9H11F2NO/c10-9(11,8(12)6-13)7-4-2-1-3-5-7/h1-5,8,13H,6,12H2
InChI Key:	CBOLUWLXNCPXRF-UHFFFAOYSA-N
LogP:	1.79830

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.0808703
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	187.0808703
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8