3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine

C10H10F3NO — CID 131874378

IUPAC3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
SMILESNCC=Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO/c11-10(12,13)15-9-5-1-3-8(7-9)4-2-6-14/h1-5,7H,6,14H2
InChIKeyYTFHWNPGCXYOHM-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.56
Rot. Bonds3

About 3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine

3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine (PubChem CID 131874378) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
PubChem CID131874378
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
SMILESNCC=Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H10F3NO/c11-10(12,13)15-9-5-1-3-8(7-9)4-2-6-14/h1-5,7H,6,14H2
InChIKeyYTFHWNPGCXYOHM-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene
CID 18930258
2-[3-(trifluoromethoxy)phenyl]ethenamine
CID 141333954
1-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)benzene
CID 89117521
N-methyl-4-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79591557
3-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 69489696
1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene
CID 135029746
S-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl] ethanethioate
CID 170480677
N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine
CID 79592096
3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 169464324
ethyl 3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 54080322
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 6930859

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The IUPAC name of 3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine (CID 131874378) is 3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine.
What is the SMILES notation for 3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The canonical SMILES for 3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine is NCC=Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The InChIKey is YTFHWNPGCXYOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)15-9-5-1-3-8(7-9)4-2-6-14/h1-5,7H,6,14H2.
What are the key properties of 3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine has a molecular weight of 217.19 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 131874378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).