[3-fluoro-4-(trifluoromethyl)phenyl]methanamine

C8H7F4N — CID 2737567

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C8H7F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2
InChIKeyXYWYEOHNURYGGP-UHFFFAOYSA-N
MW193.14 g/mol
LogP2.30
Rot. Bonds1

About [3-fluoro-4-(trifluoromethyl)phenyl]methanamine

[3-fluoro-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 2737567) has the molecular formula C8H7F4N and a molecular weight of 193.14 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
PubChem CID2737567
Molecular FormulaC8H7F4N
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C8H7F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2
InChIKeyXYWYEOHNURYGGP-UHFFFAOYSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 52.30
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 [3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]methanamine (CID 2737567) is [3-fluoro-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]methanamine is NCc1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XYWYEOHNURYGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]methanamine?
[3-fluoro-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 193.14 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 2737567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).