2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol

C12H14F5NO — CID 106172903

IUPAC2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
SMILESOCC(F)(F)CNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H14F5NO/c13-11(14,8-19)7-18-10(6-12(15,16)17)9-4-2-1-3-5-9/h1-5,10,18-19H,6-8H2
InChIKeyGZOOYGSAOKQGFE-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.90
Rot. Bonds6

About 2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol

2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol (PubChem CID 106172903) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is 2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
PubChem CID106172903
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC Name2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
SMILESOCC(F)(F)CNC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H14F5NO/c13-11(14,8-19)7-18-10(6-12(15,16)17)9-4-2-1-3-5-9/h1-5,10,18-19H,6-8H2
InChIKeyGZOOYGSAOKQGFE-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
2,2-difluoro-3-[(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 104860585
[1-[[(3,3,3-trifluoro-1-phenylpropyl)amino]methyl]cyclopropyl]methanol
CID 115454270
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
3-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)but-2-en-1-amine
CID 103913358
4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
CID 107151412
N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine
CID 65025465
2-[(3,3,3-trifluoro-1-phenylpropyl)amino]butan-1-ol
CID 43771162
3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 54897637
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
2,4,4-trimethyl-N-(3,3,3-trifluoro-1-phenylpropyl)pentan-2-amine
CID 43788256
1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol
CID 106434786

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol (CID 106172903) is 2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol is OCC(F)(F)CNC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol?
The InChIKey is GZOOYGSAOKQGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO/c13-11(14,8-19)7-18-10(6-12(15,16)17)9-4-2-1-3-5-9/h1-5,10,18-19H,6-8H2.
What are the key properties of 2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol?
2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol has a molecular weight of 283.24 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol is sourced from PubChem (CID 106172903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).