3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine

C12H16F3N — CID 116839617

IUPAC3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine
SMILESCc1cc(C(F)(F)C(C)(C)CN)ccc1F
InChIInChI=1S/C12H16F3N/c1-8-6-9(4-5-10(8)13)12(14,15)11(2,3)7-16/h4-6H,7,16H2,1-3H3
InChIKeyIUHKZLLYGCBZHI-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.21
Rot. Bonds3

About 3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine

3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine (PubChem CID 116839617) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine
PubChem CID116839617
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine
SMILESCc1cc(C(F)(F)C(C)(C)CN)ccc1F
InChIInChI=1S/C12H16F3N/c1-8-6-9(4-5-10(8)13)12(14,15)11(2,3)7-16/h4-6H,7,16H2,1-3H3
InChIKeyIUHKZLLYGCBZHI-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839672
2-(4-fluoro-3-methylphenyl)butan-2-amine
CID 62791443
3-(1,3-benzodioxol-5-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839632
3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839684
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211
2-(4-fluoro-3-methylphenyl)-2-methylpropanal
CID 83683621
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131868
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
3-(4-fluoro-3-methylphenyl)-3-methylpentanedioic acid
CID 82131952
3-(4-fluoro-3-methylphenyl)-2-methylpentan-3-amine
CID 62791449

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine (CID 116839617) is 3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine is Cc1cc(C(F)(F)C(C)(C)CN)ccc1F.
What is the InChIKey of 3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is IUHKZLLYGCBZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-8-6-9(4-5-10(8)13)12(14,15)11(2,3)7-16/h4-6H,7,16H2,1-3H3.
What are the key properties of 3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine?
3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 231.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 116839617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).