2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol

C17H18F3NO — CID 22261599

IUPAC2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol
SMILESCC(F)(F)c1cccc(CC(N)C(O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18F3NO/c1-17(19,20)13-4-2-3-11(9-13)10-15(21)16(22)12-5-7-14(18)8-6-12/h2-9,15-16,22H,10,21H2,1H3
InChIKeyCUNPRAIMKVQKFR-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.54
Rot. Bonds5

About 2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol

2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol (PubChem CID 22261599) has the molecular formula C17H18F3NO and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol
PubChem CID22261599
Molecular FormulaC17H18F3NO
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol
SMILESCC(F)(F)c1cccc(CC(N)C(O)c2ccc(F)cc2)c1
InChIInChI=1S/C17H18F3NO/c1-17(19,20)13-4-2-3-11(9-13)10-15(21)16(22)12-5-7-14(18)8-6-12/h2-9,15-16,22H,10,21H2,1H3
InChIKeyCUNPRAIMKVQKFR-UHFFFAOYSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 22261902
2-amino-3-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 62720952
3-(4-fluorophenyl)-3-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]propanoate
CID 22261948
1-(4-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanol
CID 116542275
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
1-(3,5-difluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62605037
methyl 4-[2-amino-1-hydroxy-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]benzoate
CID 22261714
2-amino-1-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 86346411
1-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 65150144
4-(2-amino-1-hydroxy-3-phenylpropyl)-2-fluorophenol
CID 107690995

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol (CID 22261599) is 2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol is CC(F)(F)c1cccc(CC(N)C(O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol?
The InChIKey is CUNPRAIMKVQKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO/c1-17(19,20)13-4-2-3-11(9-13)10-15(21)16(22)12-5-7-14(18)8-6-12/h2-9,15-16,22H,10,21H2,1H3.
What are the key properties of 2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol?
2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol has a molecular weight of 309.33 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(1,1-difluoroethyl)phenyl]-1-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 22261599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).