(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol

C9H10F3NO — CID 66514177

IUPAC(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
SMILESN[C@H](CO)c1ccc(F)c(C(F)F)c1
InChIInChI=1S/C9H10F3NO/c10-7-2-1-5(8(13)4-14)3-6(7)9(11)12/h1-3,8-9,14H,4,13H2/t8-/m1/s1
InChIKeyYLXYZZGCVCMKLF-MRVPVSSYSA-N
MW205.18 g/mol
LogP1.76
Rot. Bonds3

About (2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol

(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol (PubChem CID 66514177) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
PubChem CID66514177
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
SMILESN[C@H](CO)c1ccc(F)c(C(F)F)c1
InChIInChI=1S/C9H10F3NO/c10-7-2-1-5(8(13)4-14)3-6(7)9(11)12/h1-3,8-9,14H,4,13H2/t8-/m1/s1
InChIKeyYLXYZZGCVCMKLF-MRVPVSSYSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-[5-(difluoromethyl)-2-fluorophenyl]ethanol
CID 66514200
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
(2R)-2-amino-2-(3-amino-4-fluorophenyl)ethanol
CID 66513607
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
3-(1-amino-2-hydroxyethyl)-4-fluorophenol
CID 55296620
2-amino-2-(4-amino-3-fluorophenyl)ethanol
CID 55283111
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
2-amino-2-[3-fluoro-4-(hydroxymethyl)phenyl]ethanol
CID 55273327
(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol
CID 66515738
(2R)-2-amino-2-[3-(difluoromethyl)phenyl]ethanol
CID 66514168
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol (CID 66514177) is (2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol is N[C@H](CO)c1ccc(F)c(C(F)F)c1.
What is the InChIKey of (2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol?
The InChIKey is YLXYZZGCVCMKLF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-7-2-1-5(8(13)4-14)3-6(7)9(11)12/h1-3,8-9,14H,4,13H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol?
(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol has a molecular weight of 205.18 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol is sourced from PubChem (CID 66514177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).