2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine

C9H10F3N — CID 80605936

IUPAC2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)C(F)F)cc1F
InChIInChI=1S/C9H10F3N/c1-5-2-3-6(4-7(5)10)8(13)9(11)12/h2-4,8-9H,13H2,1H3
InChIKeyWHWOWRGAFVVSDU-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.40
Rot. Bonds2

About 2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine

2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine (PubChem CID 80605936) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
PubChem CID80605936
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)C(F)F)cc1F
InChIInChI=1S/C9H10F3N/c1-5-2-3-6(4-7(5)10)8(13)9(11)12/h2-4,8-9H,13H2,1H3
InChIKeyWHWOWRGAFVVSDU-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(3,4-dimethylphenyl)-2,2-difluoroethanamine
CID 29069144
1-(3-chloro-4-methylphenyl)-2,2-difluoroethanamine
CID 103946952
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
4-[(1R)-1-amino-2,2-difluoroethyl]-2-fluorophenol
CID 130700955
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
CID 130062652
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
1-(3-fluoro-4-methylphenyl)-3-methylbut-2-en-1-amine
CID 79190938
(1S)-1-amino-1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-ol
CID 161443517
3-fluoro-3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-amine
CID 130604689
(1R)-2,2,3,3,3-pentafluoro-1-(3-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171312332

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine (CID 80605936) is 2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine is Cc1ccc(C(N)C(F)F)cc1F.
What is the InChIKey of 2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine?
The InChIKey is WHWOWRGAFVVSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/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 2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine?
2,2-difluoro-1-(3-fluoro-4-methylphenyl)ethanamine has a molecular weight of 189.18 g/mol, XLogP of 2.40, 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-(3-fluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 80605936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).