3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine

C10H12F3N — CID 84721556

IUPAC3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(CN)(c1ccc(F)cc1)C(F)F
InChIInChI=1S/C10H12F3N/c1-10(6-14,9(12)13)7-2-4-8(11)5-3-7/h2-5,9H,6,14H2,1H3
InChIKeyCWAHCINNRLXKBX-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.31
Rot. Bonds3

About 3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine

3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 84721556) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine
PubChem CID84721556
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(CN)(c1ccc(F)cc1)C(F)F
InChIInChI=1S/C10H12F3N/c1-10(6-14,9(12)13)7-2-4-8(11)5-3-7/h2-5,9H,6,14H2,1H3
InChIKeyCWAHCINNRLXKBX-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)propane-1,2-diamine
CID 116855534
2-cyclopropyl-2-(4-fluorophenyl)propan-1-amine
CID 83830466
2-(4-fluorophenyl)propan-2-amine
CID 13025665
1-cyclopropyl-3-(4-fluorophenyl)-3-methylbutan-2-amine
CID 64904886
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 22572271
1-(4-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933363
methyl 3-amino-2-(4-fluorophenyl)-2-methylpropanoate
CID 86811738
2-[2-(4-fluorophenyl)butan-2-yl]propanedioic acid
CID 139635434
2-cyclopropyl-2-fluoro-2-(4-fluorophenyl)ethanamine
CID 112567178
(1R)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127925
(1S)-1-(4-fluorophenyl)-1-iodoethanamine
CID 67127984
(2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol
CID 135054788

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine (CID 84721556) is 3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine is CC(CN)(c1ccc(F)cc1)C(F)F.
What is the InChIKey of 3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is CWAHCINNRLXKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-10(6-14,9(12)13)7-2-4-8(11)5-3-7/h2-5,9H,6,14H2,1H3.
What are the key properties of 3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine?
3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 84721556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).