2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol

C14H12F3NO — CID 142693429

IUPAC2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol
SMILESNC(c1ccc(F)cc1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12F3NO/c15-10-4-1-8(2-5-10)13(18)14(19)9-3-6-11(16)12(17)7-9/h1-7,13-14,19H,18H2
InChIKeyPPWQCXMJBMTMEQ-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol

2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol (PubChem CID 142693429) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol
PubChem CID142693429
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol
SMILESNC(c1ccc(F)cc1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H12F3NO/c15-10-4-1-8(2-5-10)13(18)14(19)9-3-6-11(16)12(17)7-9/h1-7,13-14,19H,18H2
InChIKeyPPWQCXMJBMTMEQ-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
CID 62718129
2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 123991915
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091
(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride
CID 69010360
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 53420253
2-chloro-1-(3,4-difluorophenyl)propan-1-ol
CID 116863660
(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
CID 40787336
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826
(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118631975
(2S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118633773

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol?
The IUPAC name of 2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol (CID 142693429) is 2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol is NC(c1ccc(F)cc1)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol?
The InChIKey is PPWQCXMJBMTMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-10-4-1-8(2-5-10)13(18)14(19)9-3-6-11(16)12(17)7-9/h1-7,13-14,19H,18H2.
What are the key properties of 2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol?
2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol has a molecular weight of 267.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 142693429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).