molecular hydrogen;(2,4,6-trifluorophenyl)methanamine

C7H8F3N — CID 169236849

IUPACmolecular hydrogen;(2,4,6-trifluorophenyl)methanamine
SMILESNCc1c(F)cc(F)cc1F.[H][H]
InChIInChI=1S/C7H6F3N.H2/c8-4-1-6(9)5(3-11)7(10)2-4;/h1-2H,3,11H2;1H
InChIKeyNPWRNMVCQOETSK-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.81
Rot. Bonds1

About molecular hydrogen;(2,4,6-trifluorophenyl)methanamine

molecular hydrogen;(2,4,6-trifluorophenyl)methanamine (PubChem CID 169236849) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is molecular hydrogen;(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Namemolecular hydrogen;(2,4,6-trifluorophenyl)methanamine
PubChem CID169236849
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Namemolecular hydrogen;(2,4,6-trifluorophenyl)methanamine
SMILESNCc1c(F)cc(F)cc1F.[H][H]
InChIInChI=1S/C7H6F3N.H2/c8-4-1-6(9)5(3-11)7(10)2-4;/h1-2H,3,11H2;1H
InChIKeyNPWRNMVCQOETSK-UHFFFAOYSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4,6-trifluorophenyl)ethanamine
CID 10631080
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303
(4-bromo-2,6-difluorophenyl)methanamine;hydrochloride
CID 73012230
[2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine
CID 20837582
(2,6-difluoro-4-methoxyphenyl)methanamine;hydrochloride
CID 162342560
2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176953846
(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid
CID 10846511
2-(2-amino-4,6-difluorophenyl)acetic acid
CID 121232026
3-(2,4-difluoro-6-hydroxyphenyl)propanoic acid
CID 84776661
(2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine
CID 104868200
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
1-(2,3,5-trifluorophenyl)propane-1,3-diamine
CID 130900225

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of molecular hydrogen;(2,4,6-trifluorophenyl)methanamine (CID 169236849) is molecular hydrogen;(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for molecular hydrogen;(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for molecular hydrogen;(2,4,6-trifluorophenyl)methanamine is NCc1c(F)cc(F)cc1F.[H][H].
What is the InChIKey of molecular hydrogen;(2,4,6-trifluorophenyl)methanamine?
The InChIKey is NPWRNMVCQOETSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N.H2/c8-4-1-6(9)5(3-11)7(10)2-4;/h1-2H,3,11H2;1H.
What are the key properties of molecular hydrogen;(2,4,6-trifluorophenyl)methanamine?
molecular hydrogen;(2,4,6-trifluorophenyl)methanamine has a molecular weight of 163.14 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 169236849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).