2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol

C10H13F2NO — CID 84669975

IUPAC2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol
SMILESNC(CO)c1ccc(CC(F)F)cc1
InChIInChI=1S/C10H13F2NO/c11-10(12)5-7-1-3-8(4-2-7)9(13)6-14/h1-4,9-10,14H,5-6,13H2
InChIKeyWMXPSCDDHDYHEP-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.49
Rot. Bonds4

About 2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol

2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol (PubChem CID 84669975) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol
PubChem CID84669975
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol
SMILESNC(CO)c1ccc(CC(F)F)cc1
InChIInChI=1S/C10H13F2NO/c11-10(12)5-7-1-3-8(4-2-7)9(13)6-14/h1-4,9-10,14H,5-6,13H2
InChIKeyWMXPSCDDHDYHEP-UHFFFAOYSA-N
XLogP1.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-[4-(2,2-difluoroethyl)phenyl]butanoic acid
CID 117359457
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
1-[4-(1-amino-2-hydroxyethyl)phenyl]-2-methylpropan-2-ol
CID 117115386
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
2-amino-2-(4-propan-2-ylphenyl)ethanol;hydrochloride
CID 155487486
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243
2-amino-2-(4-octylphenyl)ethanol
CID 19881300
(2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515285
(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515284
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(2S)-2-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
CID 66514177

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol (CID 84669975) is 2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol is NC(CO)c1ccc(CC(F)F)cc1.
What is the InChIKey of 2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol?
The InChIKey is WMXPSCDDHDYHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-10(12)5-7-1-3-8(4-2-7)9(13)6-14/h1-4,9-10,14H,5-6,13H2.
What are the key properties of 2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol?
2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol has a molecular weight of 201.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(2,2-difluoroethyl)phenyl]ethanol is sourced from PubChem (CID 84669975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).