1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine

C9H10ClF2N — CID 103946952

IUPAC1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
SMILESCc1ccc(C(N)C(F)F)cc1Cl
InChIInChI=1S/C9H10ClF2N/c1-5-2-3-6(4-7(5)10)8(13)9(11)12/h2-4,8-9H,13H2,1H3
InChIKeyJSVNSJXRJSVSOD-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.91
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine

1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine (PubChem CID 103946952) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
PubChem CID103946952
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
SMILESCc1ccc(C(N)C(F)F)cc1Cl
InChIInChI=1S/C9H10ClF2N/c1-5-2-3-6(4-7(5)10)8(13)9(11)12/h2-4,8-9H,13H2,1H3
InChIKeyJSVNSJXRJSVSOD-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine
CID 29069144
(1R)-1-(3-chloro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131561553
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 80605936
(1S,2R)-1-amino-1-(3-chloro-4-methylphenyl)-3-methylpentan-2-ol
CID 171267982
1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine
CID 107561849
(1R)-1-(3-chloro-4-methylphenyl)-3-fluoropropan-1-amine
CID 131569860
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride
CID 171262306
1-(3-chloro-4-methylphenyl)-2-phenylbutan-1-amine
CID 107561754
(1R,2S)-2-amino-2-(3-chloro-4-methylphenyl)-1-cyclohexylethanol
CID 171267974
2-[(3-chloro-4-methylphenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107561213
(1S)-1-(3-chloro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171223987

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine (CID 103946952) is 1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine is Cc1ccc(C(N)C(F)F)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine?
The InChIKey is JSVNSJXRJSVSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c1-5-2-3-6(4-7(5)10)8(13)9(11)12/h2-4,8-9H,13H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine?
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine has a molecular weight of 205.64 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine is sourced from PubChem (CID 103946952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).