[2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine

C8H6F5N — CID 22337617

IUPAC[2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C8H6F5N/c9-6-4(3-14)1-2-5(7(6)10)8(11,12)13/h1-2H,3,14H2
InChIKeyPEKCLTCAWNBFME-UHFFFAOYSA-N
MW211.13 g/mol
LogP2.44
Rot. Bonds1

About [2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine

[2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 22337617) has the molecular formula C8H6F5N and a molecular weight of 211.13 g/mol. Its IUPAC name is [2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine
PubChem CID22337617
Molecular FormulaC8H6F5N
Molecular Weight211.13 g/mol
Exact Mass211.04
IUPAC Name[2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C8H6F5N/c9-6-4(3-14)1-2-5(7(6)10)8(11,12)13/h1-2H,3,14H2
InChIKeyPEKCLTCAWNBFME-UHFFFAOYSA-N
XLogP2.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzylamine
CID 7504
1,4-Benzenedimethanamine
CID 68315
4-Fluorobenzylamine
CID 67326
Benzylammonium chloride
CID 2724127
Mofegiline
CID 6437850
4-Methylbenzylamine
CID 66035
2-(2-Fluorophenyl)ethylamine
CID 643357
p-Fluorophenethylamine
CID 4653
2-(3-Fluorophenyl)ethanamine
CID 533928
2-[4-(Trifluoromethyl)phenyl]ethan-1-amine
CID 1988106
2-Fluorobenzylamine
CID 66649
3-Fluorobenzylamine
CID 66853

Frequently Asked Questions

What is the IUPAC name of [2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine (CID 22337617) is [2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine is NCc1ccc(C(F)(F)F)c(F)c1F.
What is the InChIKey of [2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PEKCLTCAWNBFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N/c9-6-4(3-14)1-2-5(7(6)10)8(11,12)13/h1-2H,3,14H2.
What are the key properties of [2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine?
[2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 211.13 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-difluoro-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 22337617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).