3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine

C10H9F4NO — CID 169464324

IUPAC3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
SMILESNCC=Cc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C10H9F4NO/c11-9-4-3-8(16-10(12,13)14)6-7(9)2-1-5-15/h1-4,6H,5,15H2
InChIKeyIDOHOFYHFLQSDR-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.70
Rot. Bonds3

About 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine

3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine (PubChem CID 169464324) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
PubChem CID169464324
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
SMILESNCC=Cc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C10H9F4NO/c11-9-4-3-8(16-10(12,13)14)6-7(9)2-1-5-15/h1-4,6H,5,15H2
InChIKeyIDOHOFYHFLQSDR-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-ene-1-thiol
CID 169456007
3-(2,5-difluorophenyl)prop-2-en-1-amine
CID 76997167
S-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]but-3-enyl] ethanethioate
CID 170480968
ethyl 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enoate
CID 169481008
2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 83410120
3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 131874378
4-[2-fluoro-4-(trifluoromethoxy)phenyl]but-3-en-1-ol
CID 170477398
3-[2-chloro-4-(trifluoromethoxy)phenyl]prop-2-ene-1-thiol
CID 169456006
3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol
CID 169454110
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
CID 130935910
4-[2-chloro-4-(trifluoromethoxy)phenyl]but-3-ene-1-thiol
CID 170479175

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The IUPAC name of 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine (CID 169464324) is 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine.
What is the SMILES notation for 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The canonical SMILES for 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine is NCC=Cc1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The InChIKey is IDOHOFYHFLQSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c11-9-4-3-8(16-10(12,13)14)6-7(9)2-1-5-15/h1-4,6H,5,15H2.
What are the key properties of 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine has a molecular weight of 235.18 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 169464324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).