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

C10H12F3N — CID 131289236

IUPAC(1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine
SMILESCc1ccc([C@H](N)CC(F)F)c(F)c1
InChIInChI=1S/C10H12F3N/c1-6-2-3-7(8(11)4-6)9(14)5-10(12)13/h2-4,9-10H,5,14H2,1H3/t9-/m1/s1
InChIKeyHWAFXWUKFTVEAH-SECBINFHSA-N
MW203.21 g/mol
LogP2.79
Rot. Bonds3

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

(1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine (PubChem CID 131289236) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is (1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine
PubChem CID131289236
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name(1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine
SMILESCc1ccc([C@H](N)CC(F)F)c(F)c1
InChIInChI=1S/C10H12F3N/c1-6-2-3-7(8(11)4-6)9(14)5-10(12)13/h2-4,9-10H,5,14H2,1H3/t9-/m1/s1
InChIKeyHWAFXWUKFTVEAH-SECBINFHSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
3-ethyl-1-(2-fluoro-4-methylphenyl)pentan-1-amine
CID 105028201
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
2-[(1S)-1-amino-3,3-difluoropropyl]-5-methylphenol;hydrochloride
CID 171313260
(1S)-3-fluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171221503
1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075
2-(3,5-dimethylphenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115800392
(1S)-1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171221516
(3S)-3-amino-3-(2-fluoro-4-methylphenyl)propanenitrile;hydrochloride
CID 171259899
(1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313739

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine?
The IUPAC name of (1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine (CID 131289236) is (1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine.
What is the SMILES notation for (1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine?
The canonical SMILES for (1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine is Cc1ccc([C@H](N)CC(F)F)c(F)c1.
What is the InChIKey of (1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine?
The InChIKey is HWAFXWUKFTVEAH-SECBINFHSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6-2-3-7(8(11)4-6)9(14)5-10(12)13/h2-4,9-10H,5,14H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine?
(1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine is sourced from PubChem (CID 131289236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).