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

C8H7ClF3N — CID 23512744

IUPAC[3-chloro-4-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H7ClF3N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2
InChIKeyGRCRXCBPWHSEOI-UHFFFAOYSA-N
MW209.60 g/mol
LogP2.82
Rot. Bonds1

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

[3-chloro-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 23512744) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is [3-chloro-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(trifluoromethyl)phenyl]methanamine
PubChem CID23512744
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name[3-chloro-4-(trifluoromethyl)phenyl]methanamine
SMILESNCc1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H7ClF3N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3H,4,13H2
InChIKeyGRCRXCBPWHSEOI-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenemethanamine, 3-chloro-
CID 77802
Benzenemethanamine, 3,5-dichloro-
CID 457602
3-Chloro-4-fluorobenzylamine
CID 144539
Benzenemethanamine, 2,6-dichloro-
CID 485432
Benzenemethanamine, 4-chloro-3-(trifluoromethyl)-
CID 485440
2,3-Dichlorobenzylamine
CID 587625
2-Chlorobenzylamine
CID 66648
(2-Chloro-3-fluorophenyl)methanamine
CID 50998690
2-(2-Chloro-6-fluorophenyl)ethan-1-amine
CID 2734094
Benzenemethanamine, 2,5-dichloro-
CID 457600
2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide
CID 2736877
US10358435, Example 29
CID 122539218

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(trifluoromethyl)phenyl]methanamine (CID 23512744) is [3-chloro-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(trifluoromethyl)phenyl]methanamine is NCc1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GRCRXCBPWHSEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/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-chloro-4-(trifluoromethyl)phenyl]methanamine?
[3-chloro-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 209.60 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 23512744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).