2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol

C12H14F5NO — CID 104860556

IUPAC2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
SMILESCC(NCC(F)(F)CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F5NO/c1-8(18-6-11(13,14)7-19)9-3-2-4-10(5-9)12(15,16)17/h2-5,8,18-19H,6-7H2,1H3
InChIKeyKPZGGLDTGUNERS-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.98
Rot. Bonds5

About 2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol

2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol (PubChem CID 104860556) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is 2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
PubChem CID104860556
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC Name2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
SMILESCC(NCC(F)(F)CO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F5NO/c1-8(18-6-11(13,14)7-19)9-3-2-4-10(5-9)12(15,16)17/h2-5,8,18-19H,6-7H2,1H3
InChIKeyKPZGGLDTGUNERS-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 103904346
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanenitrile
CID 55023215
4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butanamide
CID 60865016
N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43223829
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
2-propan-2-yl-N'-[1-[3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diamine
CID 107441658
N-(2-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63450355
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43182177
N-[(4-methylcyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 63464067

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol (CID 104860556) is 2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol is CC(NCC(F)(F)CO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol?
The InChIKey is KPZGGLDTGUNERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO/c1-8(18-6-11(13,14)7-19)9-3-2-4-10(5-9)12(15,16)17/h2-5,8,18-19H,6-7H2,1H3.
What are the key properties of 2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol?
2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol has a molecular weight of 283.24 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol is sourced from PubChem (CID 104860556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).