2-[3-(trifluoromethoxy)phenyl]ethenamine

C9H8F3NO — CID 141333954

IUPAC2-[3-(trifluoromethoxy)phenyl]ethenamine
SMILESNC=Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H8F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-6H,13H2
InChIKeyANBIBQNBOVPVES-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.51
Rot. Bonds2

About 2-[3-(trifluoromethoxy)phenyl]ethenamine

2-[3-(trifluoromethoxy)phenyl]ethenamine (PubChem CID 141333954) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)phenyl]ethenamine.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)phenyl]ethenamine
PubChem CID141333954
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name2-[3-(trifluoromethoxy)phenyl]ethenamine
SMILESNC=Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C9H8F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-6H,13H2
InChIKeyANBIBQNBOVPVES-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)benzene
CID 89117521
3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 131874378
3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 69489696
1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene
CID 18930258
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
(Z)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 7567628
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 6930859
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
ethyl 3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 54080322
N-methyl-4-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79591557
ethane;(NE)-N-[[3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 171091545
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)phenyl]ethenamine?
The IUPAC name of 2-[3-(trifluoromethoxy)phenyl]ethenamine (CID 141333954) is 2-[3-(trifluoromethoxy)phenyl]ethenamine.
What is the SMILES notation for 2-[3-(trifluoromethoxy)phenyl]ethenamine?
The canonical SMILES for 2-[3-(trifluoromethoxy)phenyl]ethenamine is NC=Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethoxy)phenyl]ethenamine?
The InChIKey is ANBIBQNBOVPVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h1-6H,13H2.
What are the key properties of 2-[3-(trifluoromethoxy)phenyl]ethenamine?
2-[3-(trifluoromethoxy)phenyl]ethenamine has a molecular weight of 203.16 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethoxy)phenyl]ethenamine is sourced from PubChem (CID 141333954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).