N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine

C8H6F5N — CID 143092544

IUPACN-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
SMILESFNCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C8H6F5N/c9-7-2-1-6(8(10,11)12)3-5(7)4-14-13/h1-3,14H,4H2
InChIKeyZWJGRKSGAWMZPZ-UHFFFAOYSA-N
MW211.13 g/mol
LogP2.82
Rot. Bonds2

About N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine

N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 143092544) has the molecular formula C8H6F5N and a molecular weight of 211.13 g/mol. Its IUPAC name is N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
PubChem CID143092544
Molecular FormulaC8H6F5N
Molecular Weight211.13 g/mol
Exact Mass211.04
IUPAC NameN-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
SMILESFNCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C8H6F5N/c9-7-2-1-6(8(10,11)12)3-5(7)4-14-13/h1-3,14H,4H2
InChIKeyZWJGRKSGAWMZPZ-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 79032953
1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene
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CID 53434374
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3781688
2,4-difluoro-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3821577
2-[2-fluoro-5-(trifluoromethyl)phenyl]ethylhydrazine
CID 53402567
2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 83808287
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
CID 3778780
2-(3,3-dimethylbutyl)-1-fluoro-4-(trifluoromethyl)benzene
CID 129147241
(2S)-2-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methylbutanoic acid
CID 120510472
2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine
CID 154541164
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121

Frequently Asked Questions

What is the IUPAC name of N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine (CID 143092544) is N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine is FNCc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZWJGRKSGAWMZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N/c9-7-2-1-6(8(10,11)12)3-5(7)4-14-13/h1-3,14H,4H2.
What are the key properties of N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine?
N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 211.13 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 143092544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).