3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol

C11H12F5NO — CID 114093162

IUPAC3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1cccc(C(F)F)c1)C(F)(F)F
InChIInChI=1S/C11H12F5NO/c12-10(13)8-3-1-2-7(4-8)5-17-6-9(18)11(14,15)16/h1-4,9-10,17-18H,5-6H2
InChIKeyVUKGVJPUSBTCAJ-UHFFFAOYSA-N
MW269.21 g/mol
LogP2.64
Rot. Bonds5

About 3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol

3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 114093162) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is 3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID114093162
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1cccc(C(F)F)c1)C(F)(F)F
InChIInChI=1S/C11H12F5NO/c12-10(13)8-3-1-2-7(4-8)5-17-6-9(18)11(14,15)16/h1-4,9-10,17-18H,5-6H2
InChIKeyVUKGVJPUSBTCAJ-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol
CID 11955347
4-[[3-(difluoromethyl)phenyl]methylamino]butan-2-ol
CID 115526556
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
CID 114331434
N-[[3-(difluoromethyl)phenyl]methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 114187455
N-[[3-(difluoromethyl)phenyl]methyl]-2,2-diethoxyethanamine
CID 115526613
1-[(3-propan-2-ylphenyl)methylamino]butan-2-ol
CID 142673140
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-en-1-amine
CID 115525877
N-[[3-(difluoromethyl)phenyl]methyl]prop-2-yn-1-amine
CID 115525876
tert-butyl N-[1-[[3-(difluoromethyl)phenyl]methylamino]propan-2-yl]carbamate
CID 107247607
1,1,1-trifluoro-3-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 103851384
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol (CID 114093162) is 3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol is OC(CNCc1cccc(C(F)F)c1)C(F)(F)F.
What is the InChIKey of 3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is VUKGVJPUSBTCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO/c12-10(13)8-3-1-2-7(4-8)5-17-6-9(18)11(14,15)16/h1-4,9-10,17-18H,5-6H2.
What are the key properties of 3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol?
3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 269.21 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 114093162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).