2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol

C10H12F3NO — CID 164884626

IUPAC2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol
SMILESCC(N)c1ccc(F)c(C(F)(F)CO)c1
InChIInChI=1S/C10H12F3NO/c1-6(14)7-2-3-9(11)8(4-7)10(12,13)5-15/h2-4,6,15H,5,14H2,1H3
InChIKeyBRXAEUYZCDFXQX-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.93
Rot. Bonds3

About 2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol

2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol (PubChem CID 164884626) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol.

Molecular Properties

Compound Name2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol
PubChem CID164884626
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol
SMILESCC(N)c1ccc(F)c(C(F)(F)CO)c1
InChIInChI=1S/C10H12F3NO/c1-6(14)7-2-3-9(11)8(4-7)10(12,13)5-15/h2-4,6,15H,5,14H2,1H3
InChIKeyBRXAEUYZCDFXQX-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247249
2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
CID 116841188
2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol
CID 138750754
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine
CID 55271873
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171267517
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 131503753
(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171202601
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpentan-2-ol;hydrochloride
CID 171161307
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylhexan-2-ol
CID 171261836

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol?
The IUPAC name of 2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol (CID 164884626) is 2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol.
What is the SMILES notation for 2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol?
The canonical SMILES for 2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol is CC(N)c1ccc(F)c(C(F)(F)CO)c1.
What is the InChIKey of 2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol?
The InChIKey is BRXAEUYZCDFXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(14)7-2-3-9(11)8(4-7)10(12,13)5-15/h2-4,6,15H,5,14H2,1H3.
What are the key properties of 2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol?
2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol has a molecular weight of 219.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol is sourced from PubChem (CID 164884626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).