2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol

C12H17F2NO — CID 116788835

IUPAC2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(F)(F)c1ccccc1
InChIInChI=1S/C12H17F2NO/c1-11(2,9-16)15-8-12(13,14)10-6-4-3-5-7-10/h3-7,15-16H,8-9H2,1-2H3
InChIKeyOHDWVFJCZIUSLR-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.14
Rot. Bonds5

About 2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol

2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol (PubChem CID 116788835) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol
PubChem CID116788835
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(F)(F)c1ccccc1
InChIInChI=1S/C12H17F2NO/c1-11(2,9-16)15-8-12(13,14)10-6-4-3-5-7-10/h3-7,15-16H,8-9H2,1-2H3
InChIKeyOHDWVFJCZIUSLR-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoro-2-phenylethyl)-2,4,4-trimethylpentan-2-amine
CID 116788975
(2,2-difluoro-2-phenylethyl)hydrazine
CID 116788671
3-[(2,2-difluoro-2-phenylethyl)amino]butan-1-ol
CID 116789257
2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133734
2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 92574114
N-(2,2-difluoro-2-phenylethyl)-2,3,4,5,6-pentafluoroaniline
CID 162537681
[1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol
CID 116789339
2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid
CID 165464166
3-[(2,2-difluoro-2-phenylethyl)amino]propane-1,2-diol
CID 116789164
2-bromo-N-(2,2-difluoro-2-phenylethyl)aniline
CID 116788759
1-(2,2-difluoro-2-phenylethyl)-2,3-dimethylguanidine
CID 167745064
N-(2,2-difluoro-2-phenylethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 116789179

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol (CID 116788835) is 2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol is CC(C)(CO)NCC(F)(F)c1ccccc1.
What is the InChIKey of 2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol?
The InChIKey is OHDWVFJCZIUSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-11(2,9-16)15-8-12(13,14)10-6-4-3-5-7-10/h3-7,15-16H,8-9H2,1-2H3.
What are the key properties of 2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol?
2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol has a molecular weight of 229.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 116788835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).