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

C11H12F5NO — CID 104857703

IUPAC2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
SMILESOCC(F)(F)CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F5NO/c12-10(13,7-18)6-17-5-8-3-1-2-4-9(8)11(14,15)16/h1-4,17-18H,5-7H2
InChIKeyLMIPDCMNESTEKE-UHFFFAOYSA-N
MW269.21 g/mol
LogP2.42
Rot. Bonds5

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

2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol (PubChem CID 104857703) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is 2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
PubChem CID104857703
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
SMILESOCC(F)(F)CNCc1ccccc1C(F)(F)F
InChIInChI=1S/C11H12F5NO/c12-10(13,7-18)6-17-5-8-3-1-2-4-9(8)11(14,15)16/h1-4,17-18H,5-7H2
InChIKeyLMIPDCMNESTEKE-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethylphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106173018
3-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]benzene-1,2-diol
CID 106173037
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 103897705
6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
CID 22006356
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 111468025
1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 2783073
2,2-difluoro-3-[(2-prop-2-enoxyphenyl)methylamino]propan-1-ol
CID 104857715
2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 103933703
N-(2,2,2-trifluoroethyl)-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 60957323
N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62049514
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
(E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine
CID 107899908

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol (CID 104857703) is 2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol is OCC(F)(F)CNCc1ccccc1C(F)(F)F.
What is the InChIKey of 2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The InChIKey is LMIPDCMNESTEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO/c12-10(13,7-18)6-17-5-8-3-1-2-4-9(8)11(14,15)16/h1-4,17-18H,5-7H2.
What are the key properties of 2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol has a molecular weight of 269.21 g/mol, XLogP of 2.42, 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-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 104857703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).