2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol

C10H12F3NO — CID 138750754

IUPAC2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol
SMILESC[C@@H](N)c1cccc(C(F)(F)CO)c1F
InChIInChI=1S/C10H12F3NO/c1-6(14)7-3-2-4-8(9(7)11)10(12,13)5-15/h2-4,6,15H,5,14H2,1H3/t6-/m1/s1
InChIKeyBNYZNPHMICFEFL-ZCFIWIBFSA-N
MW219.21 g/mol
LogP1.93
Rot. Bonds3

About 2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol

2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol (PubChem CID 138750754) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol.

Molecular Properties

Compound Name2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol
PubChem CID138750754
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol
SMILESC[C@@H](N)c1cccc(C(F)(F)CO)c1F
InChIInChI=1S/C10H12F3NO/c1-6(14)7-3-2-4-8(9(7)11)10(12,13)5-15/h2-4,6,15H,5,14H2,1H3/t6-/m1/s1
InChIKeyBNYZNPHMICFEFL-ZCFIWIBFSA-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

5-[3-(1-aminoethyl)-2-fluorophenyl]-5,5-difluoropentan-1-ol
CID 166147556
1-[3-(1,1-difluoro-2-methoxyethyl)-2-fluorophenyl]ethanamine;hydrochloride
CID 166147481
(4R)-5-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-5,5-difluoro-4-methylpentan-1-ol
CID 155479457
1-[3-[2-[tert-butyl(dimethyl)silyl]oxy-1,1-difluoroethyl]-2-fluorophenyl]ethanamine
CID 170776064
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 118021056
(1R,2S)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 131342420
CID 166073038
CID 166073038
2-[5-(1-aminoethyl)-2-fluorophenyl]-2,2-difluoroethanol
CID 164884626
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171227402
1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 78001930
(1S,2R)-1-amino-1-[2-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol
CID 171269084
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol?
The IUPAC name of 2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol (CID 138750754) is 2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol.
What is the SMILES notation for 2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol?
The canonical SMILES for 2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol is C[C@@H](N)c1cccc(C(F)(F)CO)c1F.
What is the InChIKey of 2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol?
The InChIKey is BNYZNPHMICFEFL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-6(14)7-3-2-4-8(9(7)11)10(12,13)5-15/h2-4,6,15H,5,14H2,1H3/t6-/m1/s1.
What are the key properties of 2-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol?
2-[3-[(1R)-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-[3-[(1R)-1-aminoethyl]-2-fluorophenyl]-2,2-difluoroethanol is sourced from PubChem (CID 138750754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).