3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol

C10H8F7NO — CID 107290047

IUPAC3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol
SMILESNCC(O)(c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F
InChIInChI=1S/C10H8F7NO/c11-7-3-5(1-2-6(7)9(12,13)14)8(19,4-18)10(15,16)17/h1-3,19H,4,18H2
InChIKeyIGSJPMKFUDZPBE-UHFFFAOYSA-N
MW291.17 g/mol
LogP2.55
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol

3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 107290047) has the molecular formula C10H8F7NO and a molecular weight of 291.17 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID107290047
Molecular FormulaC10H8F7NO
Molecular Weight291.17 g/mol
Exact Mass291.05
IUPAC Name3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol
SMILESNCC(O)(c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F
InChIInChI=1S/C10H8F7NO/c11-7-3-5(1-2-6(7)9(12,13)14)8(19,4-18)10(15,16)17/h1-3,19H,4,18H2
InChIKeyIGSJPMKFUDZPBE-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 107287772
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 47002646
3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 84739096
3-amino-1,1,1-trifluoro-2-(2,3,4-trifluorophenyl)propan-2-ol
CID 63081377
ethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropanoate
CID 107289959
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
CID 107287051
3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 63083089
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol
CID 63082919
1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 107287061
3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol
CID 116545598
3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol
CID 64985200

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol (CID 107290047) is 3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol is NCC(O)(c1ccc(C(F)(F)F)c(F)c1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is IGSJPMKFUDZPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F7NO/c11-7-3-5(1-2-6(7)9(12,13)14)8(19,4-18)10(15,16)17/h1-3,19H,4,18H2.
What are the key properties of 3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol?
3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 291.17 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 107290047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).