2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine

C9H7F4N — CID 77481750

IUPAC2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine
SMILESNC=Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C9H7F4N/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-5H,14H2
InChIKeyIEPZQNFTDUTNAJ-UHFFFAOYSA-N
MW205.15 g/mol
LogP2.77
Rot. Bonds1

About 2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine

2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine (PubChem CID 77481750) has the molecular formula C9H7F4N and a molecular weight of 205.15 g/mol. Its IUPAC name is 2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine.

Molecular Properties

Compound Name2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine
PubChem CID77481750
Molecular FormulaC9H7F4N
Molecular Weight205.15 g/mol
Exact Mass205.05
IUPAC Name2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine
SMILESNC=Cc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C9H7F4N/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-5H,14H2
InChIKeyIEPZQNFTDUTNAJ-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 22319291
ethyl 3-[2-fluoro-6-(trifluoromethyl)phenyl]prop-2-enoate
CID 91155486
5-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599798
[[2-fluoro-6-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 168534170
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
1-fluoro-2-nitroso-3-(trifluoromethyl)benzene
CID 89289121
(E)-3-[2-fluoro-6-(trifluoromethyl)phenyl]-2-methylprop-2-enoic acid;guanidine;hydrochloride
CID 70265356
dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)
CID 172725076
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride
CID 174535656
(1S)-2,2-difluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 131585699
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine?
The IUPAC name of 2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine (CID 77481750) is 2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine.
What is the SMILES notation for 2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine?
The canonical SMILES for 2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine is NC=Cc1c(F)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine?
The InChIKey is IEPZQNFTDUTNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4N/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-5H,14H2.
What are the key properties of 2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine?
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine has a molecular weight of 205.15 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine is sourced from PubChem (CID 77481750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).