[4-(difluoromethyl)-3-fluorophenyl]methanamine

C8H8F3N — CID 84655122

IUPAC[4-(difluoromethyl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(C(F)F)c(F)c1
InChIInChI=1S/C8H8F3N/c9-7-3-5(4-12)1-2-6(7)8(10)11/h1-3,8H,4,12H2
InChIKeyROKRAWYGLNJJKD-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.22
Rot. Bonds2

About [4-(difluoromethyl)-3-fluorophenyl]methanamine

[4-(difluoromethyl)-3-fluorophenyl]methanamine (PubChem CID 84655122) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is [4-(difluoromethyl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-3-fluorophenyl]methanamine
PubChem CID84655122
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name[4-(difluoromethyl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(C(F)F)c(F)c1
InChIInChI=1S/C8H8F3N/c9-7-3-5(4-12)1-2-6(7)8(10)11/h1-3,8H,4,12H2
InChIKeyROKRAWYGLNJJKD-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine
CID 117291420
4-(aminomethyl)-2-(difluoromethyl)phenol
CID 84654551
5-(aminomethyl)-2-(difluoromethyl)benzoic acid
CID 123850880
diethyl 2-[4-(aminomethyl)-2-fluorophenyl]propanedioate
CID 174468628
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[4-(difluoromethyl)-3-fluorophenyl]hydrazine
CID 118801431
(4-tert-butyl-3-(18F)fluorophenyl)methanamine
CID 59678658
5-(aminomethyl)-2-fluorobenzenethiol
CID 90352898
3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol
CID 170827950
4-(difluoromethyl)-3-fluorobenzohydrazide
CID 178127669
[3-fluoro-4-(2,2,2-trifluoroethyl)phenyl]methanamine
CID 170915483
5-(aminomethyl)-2-fluorophenol;hydrobromide
CID 68744209

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(difluoromethyl)-3-fluorophenyl]methanamine (CID 84655122) is [4-(difluoromethyl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-3-fluorophenyl]methanamine is NCc1ccc(C(F)F)c(F)c1.
What is the InChIKey of [4-(difluoromethyl)-3-fluorophenyl]methanamine?
The InChIKey is ROKRAWYGLNJJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c9-7-3-5(4-12)1-2-6(7)8(10)11/h1-3,8H,4,12H2.
What are the key properties of [4-(difluoromethyl)-3-fluorophenyl]methanamine?
[4-(difluoromethyl)-3-fluorophenyl]methanamine has a molecular weight of 175.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 84655122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).