2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine

C10H12F3N — CID 131081700

IUPAC2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
SMILESCc1ccc(F)c(C(N)C(C)(F)F)c1
InChIInChI=1S/C10H12F3N/c1-6-3-4-8(11)7(5-6)9(14)10(2,12)13/h3-5,9H,14H2,1-2H3
InChIKeyUKJZRWOAKDADKZ-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.79
Rot. Bonds2

About 2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine

2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine (PubChem CID 131081700) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
PubChem CID131081700
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
SMILESCc1ccc(F)c(C(N)C(C)(F)F)c1
InChIInChI=1S/C10H12F3N/c1-6-3-4-8(11)7(5-6)9(14)10(2,12)13/h3-5,9H,14H2,1-2H3
InChIKeyUKJZRWOAKDADKZ-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

methyl (3S)-3-amino-3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoate
CID 171241005
methyl (3R)-3-amino-3-(2-fluoro-5-methylphenyl)-2,2-dimethylpropanoate
CID 171247724
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
2-N,2-N-diethyl-1-(2-fluoro-5-methylphenyl)-2-methylbutane-1,2-diamine
CID 79068432
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol
CID 62962605
(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
(1S)-2,2,3,3,3-pentafluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine
CID 171311524
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(1R)-1-(2-fluoro-5-methylphenyl)butane-1,4-diamine
CID 171204011
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine?
The IUPAC name of 2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine (CID 131081700) is 2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine is Cc1ccc(F)c(C(N)C(C)(F)F)c1.
What is the InChIKey of 2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine?
The InChIKey is UKJZRWOAKDADKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6-3-4-8(11)7(5-6)9(14)10(2,12)13/h3-5,9H,14H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine?
2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine is sourced from PubChem (CID 131081700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).