1,1-difluoro-N-methyl-2-phenylpropan-2-amine

C10H13F2N — CID 80604912

IUPAC1,1-difluoro-N-methyl-2-phenylpropan-2-amine
SMILESCNC(C)(c1ccccc1)C(F)F
InChIInChI=1S/C10H13F2N/c1-10(13-2,9(11)12)8-6-4-3-5-7-8/h3-7,9,13H,1-2H3
InChIKeyCGXRMIXNGGBYTQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.39
Rot. Bonds3

About 1,1-difluoro-N-methyl-2-phenylpropan-2-amine

1,1-difluoro-N-methyl-2-phenylpropan-2-amine (PubChem CID 80604912) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-2-phenylpropan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-2-phenylpropan-2-amine
PubChem CID80604912
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name1,1-difluoro-N-methyl-2-phenylpropan-2-amine
SMILESCNC(C)(c1ccccc1)C(F)F
InChIInChI=1S/C10H13F2N/c1-10(13-2,9(11)12)8-6-4-3-5-7-8/h3-7,9,13H,1-2H3
InChIKeyCGXRMIXNGGBYTQ-UHFFFAOYSA-N
XLogP2.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N'-methyl-1-phenylethane-1,1-diamine
CID 143337584
1,1-difluoro-N-methyl-2-naphthalen-1-ylpropan-2-amine
CID 80604679
(3-fluoro-2-methylbutan-2-yl)benzene
CID 69013653
1-methyl-3-(2-phenylpropan-2-yl)thiourea
CID 13065164
tert-butylbenzene;methanimine
CID 174908280
1,1-difluoroethylbenzene
CID 10942535
[(2S)-2,3-diphenylbutan-2-yl]hydrazine
CID 118682088
1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine
CID 66205754
(2R)-N,4-dimethyl-4-phenylpentan-2-amine
CID 42077724
2-phenylpropan-2-ylcarbamic acid
CID 23445609
1-(methylamino)-1,1-diphenylpropan-2-ol
CID 139632389
methylamino(phenyl)methanediol
CID 89244016

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methyl-2-phenylpropan-2-amine?
The IUPAC name of 1,1-difluoro-N-methyl-2-phenylpropan-2-amine (CID 80604912) is 1,1-difluoro-N-methyl-2-phenylpropan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-methyl-2-phenylpropan-2-amine?
The canonical SMILES for 1,1-difluoro-N-methyl-2-phenylpropan-2-amine is CNC(C)(c1ccccc1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-2-phenylpropan-2-amine?
The InChIKey is CGXRMIXNGGBYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-10(13-2,9(11)12)8-6-4-3-5-7-8/h3-7,9,13H,1-2H3.
What are the key properties of 1,1-difluoro-N-methyl-2-phenylpropan-2-amine?
1,1-difluoro-N-methyl-2-phenylpropan-2-amine has a molecular weight of 185.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-2-phenylpropan-2-amine is sourced from PubChem (CID 80604912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).