[2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine

C8H6F4IN — CID 171010565

IUPAC[2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine
SMILESNCc1c(F)cc(I)cc1C(F)(F)F
InChIInChI=1S/C8H6F4IN/c9-7-2-4(13)1-6(5(7)3-14)8(10,11)12/h1-2H,3,14H2
InChIKeyYMOUEEFNYRJBGU-UHFFFAOYSA-N
MW319.04 g/mol
LogP2.91
Rot. Bonds1

About [2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine

[2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine (PubChem CID 171010565) has the molecular formula C8H6F4IN and a molecular weight of 319.04 g/mol. Its IUPAC name is [2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine
PubChem CID171010565
Molecular FormulaC8H6F4IN
Molecular Weight319.04 g/mol
Exact Mass318.95
IUPAC Name[2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine
SMILESNCc1c(F)cc(I)cc1C(F)(F)F
InChIInChI=1S/C8H6F4IN/c9-7-2-4(13)1-6(5(7)3-14)8(10,11)12/h1-2H,3,14H2
InChIKeyYMOUEEFNYRJBGU-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.04
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-5-iodo-3-(trifluoromethyl)benzene
CID 131699534
[2-iodo-4-methyl-6-(trifluoromethyl)phenyl]methanamine
CID 171018822
2-fluoro-5-iodo-3-(trifluoromethyl)aniline
CID 130970256
[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine
CID 171016039
[4-iodo-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 127262587
2-fluoro-4-iodo-1-(trifluoromethyl)benzene
CID 2737343
2-(bromomethyl)-1,3-difluoro-5-iodobenzene
CID 131263559
2-bromo-5-iodo-3-(trifluoromethyl)aniline
CID 118994035
[4-ethyl-3,5-bis(trifluoromethyl)phenyl]methanamine
CID 135742788
4-(aminomethyl)-2-fluoro-6-(trifluoromethyl)aniline
CID 118829137
[4-iodo-3-(trifluoromethyl)phenyl]methanamine
CID 53414331
(2,6-difluoro-4-methylphenyl)methanamine
CID 118595303

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine (CID 171010565) is [2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine is NCc1c(F)cc(I)cc1C(F)(F)F.
What is the InChIKey of [2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine?
The InChIKey is YMOUEEFNYRJBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4IN/c9-7-2-4(13)1-6(5(7)3-14)8(10,11)12/h1-2H,3,14H2.
What are the key properties of [2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine?
[2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine has a molecular weight of 319.04 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-iodo-6-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 171010565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).