2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine

C10H10F5N — CID 103517278

IUPAC2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)C(F)F
InChIInChI=1S/C10H10F5N/c1-5-4-6(10(13,14)15)2-3-7(5)8(16)9(11)12/h2-4,8-9H,16H2,1H3
InChIKeyINEDVECFHKRHIO-UHFFFAOYSA-N
MW239.19 g/mol
LogP3.28
Rot. Bonds2

About 2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine

2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 103517278) has the molecular formula C10H10F5N and a molecular weight of 239.19 g/mol. Its IUPAC name is 2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID103517278
Molecular FormulaC10H10F5N
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)C(F)F
InChIInChI=1S/C10H10F5N/c1-5-4-6(10(13,14)15)2-3-7(5)8(16)9(11)12/h2-4,8-9H,16H2,1H3
InChIKeyINEDVECFHKRHIO-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride
CID 171249850
(1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242848
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753884
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-propan-2-ylsulfanylethanamine
CID 102754214
cyclooctyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102754830
cyclohexyl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753522
furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753944
1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene
CID 130480328
(4,5-dibromothiophen-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758787
1-[2-methyl-4-(trifluoromethyl)phenyl]-3-propoxypropan-1-amine
CID 102758716

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine (CID 103517278) is 2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine is Cc1cc(C(F)(F)F)ccc1C(N)C(F)F.
What is the InChIKey of 2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is INEDVECFHKRHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N/c1-5-4-6(10(13,14)15)2-3-7(5)8(16)9(11)12/h2-4,8-9H,16H2,1H3.
What are the key properties of 2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine?
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 239.19 g/mol, XLogP of 3.28, 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-methyl-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 103517278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).