(3,4,5-trifluorophenyl)methanamine;hydrochloride

C7H7ClF3N — CID 86064922

IUPAC(3,4,5-trifluorophenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C7H6F3N.ClH/c8-5-1-4(3-11)2-6(9)7(5)10;/h1-2H,3,11H2;1H
InChIKeyZKUGEINHEJHUBQ-UHFFFAOYSA-N
MW197.59 g/mol
LogP1.98
Rot. Bonds1

About (3,4,5-trifluorophenyl)methanamine;hydrochloride

(3,4,5-trifluorophenyl)methanamine;hydrochloride (PubChem CID 86064922) has the molecular formula C7H7ClF3N and a molecular weight of 197.59 g/mol. Its IUPAC name is (3,4,5-trifluorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3,4,5-trifluorophenyl)methanamine;hydrochloride
PubChem CID86064922
Molecular FormulaC7H7ClF3N
Molecular Weight197.59 g/mol
Exact Mass197.02
IUPAC Name(3,4,5-trifluorophenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C7H6F3N.ClH/c8-5-1-4(3-11)2-6(9)7(5)10;/h1-2H,3,11H2;1H
InChIKeyZKUGEINHEJHUBQ-UHFFFAOYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.59
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3,5-difluoro-4-methylsulfanylphenyl)methanamine
CID 63814041
[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-4-yl]methanamine
CID 146194560
N'-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 82504640
4-(aminomethyl)-2,6-difluoro-N-methylbenzamide
CID 130594863
[3,5-difluoro-4-(2-methylpropoxy)phenyl]methanamine
CID 79886822
4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline
CID 118829137
(3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine
CID 63808591
1-(3,4,5-trifluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 71758657
N-[(3,4,5-trifluorophenyl)methyl]thiohydroxylamine
CID 155699615
5-(2-bromoethyl)-1,2,3-trifluorobenzene
CID 22913642
2-(3,4,5-trifluorophenyl)acetaldehyde
CID 53403555
4-(aminomethyl)-2,6-difluoro-N-propylaniline
CID 81293797

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trifluorophenyl)methanamine;hydrochloride?
The IUPAC name of (3,4,5-trifluorophenyl)methanamine;hydrochloride (CID 86064922) is (3,4,5-trifluorophenyl)methanamine;hydrochloride.
What is the SMILES notation for (3,4,5-trifluorophenyl)methanamine;hydrochloride?
The canonical SMILES for (3,4,5-trifluorophenyl)methanamine;hydrochloride is Cl.NCc1cc(F)c(F)c(F)c1.
What is the InChIKey of (3,4,5-trifluorophenyl)methanamine;hydrochloride?
The InChIKey is ZKUGEINHEJHUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N.ClH/c8-5-1-4(3-11)2-6(9)7(5)10;/h1-2H,3,11H2;1H.
What are the key properties of (3,4,5-trifluorophenyl)methanamine;hydrochloride?
(3,4,5-trifluorophenyl)methanamine;hydrochloride has a molecular weight of 197.59 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trifluorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 86064922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).