3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine

C10H12F3N — CID 107514810

IUPAC3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine
SMILESCc1ccc(C(F)CCN)c(F)c1F
InChIInChI=1S/C10H12F3N/c1-6-2-3-7(8(11)4-5-14)10(13)9(6)12/h2-3,8H,4-5,14H2,1H3
InChIKeyBIVRDLWSUJXVEU-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.63
Rot. Bonds3

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

3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine (PubChem CID 107514810) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine
PubChem CID107514810
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine
SMILESCc1ccc(C(F)CCN)c(F)c1F
InChIInChI=1S/C10H12F3N/c1-6-2-3-7(8(11)4-5-14)10(13)9(6)12/h2-3,8H,4-5,14H2,1H3
InChIKeyBIVRDLWSUJXVEU-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine
CID 131057437
3-fluoro-3-(2-methylphenyl)propan-1-amine
CID 84652798
(1S)-1-(2,3-difluoro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131304116
1-(1-chlorobutyl)-2,3-difluoro-4-methylbenzene
CID 130480611
1-(2,3-difluoro-4-methylphenyl)propylhydrazine
CID 107516321
2-(2,3-difluoro-4-methylphenyl)propan-1-ol
CID 117280430
2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116934101
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
(2-bromo-3,4-difluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107538714
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971
1-(2,3-difluoro-4-methylphenyl)-2-methylsulfanylethanol
CID 107512869

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine?
The IUPAC name of 3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine (CID 107514810) is 3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine.
What is the SMILES notation for 3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine?
The canonical SMILES for 3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine is Cc1ccc(C(F)CCN)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine?
The InChIKey is BIVRDLWSUJXVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6-2-3-7(8(11)4-5-14)10(13)9(6)12/h2-3,8H,4-5,14H2,1H3.
What are the key properties of 3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine?
3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-methylphenyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 107514810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).