5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid

C12H10F4O3 — CID 171372582

IUPAC5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid
SMILESO=C(O)CCC=Cc1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C12H10F4O3/c13-9-7-8(3-1-2-4-11(17)18)5-6-10(9)19-12(14,15)16/h1,3,5-7H,2,4H2,(H,17,18)
InChIKeyHPSOXGGWNUDIAQ-UHFFFAOYSA-N
MW278.20 g/mol
LogP3.60
Rot. Bonds5

About 5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid

5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid (PubChem CID 171372582) has the molecular formula C12H10F4O3 and a molecular weight of 278.20 g/mol. Its IUPAC name is 5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid.

Molecular Properties

Compound Name5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid
PubChem CID171372582
Molecular FormulaC12H10F4O3
Molecular Weight278.20 g/mol
Exact Mass278.06
IUPAC Name5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid
SMILESO=C(O)CCC=Cc1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C12H10F4O3/c13-9-7-8(3-1-2-4-11(17)18)5-6-10(9)19-12(14,15)16/h1,3,5-7H,2,4H2,(H,17,18)
InChIKeyHPSOXGGWNUDIAQ-UHFFFAOYSA-N
XLogP3.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-6-(3-fluoro-4-methoxyphenyl)hex-5-enoic acid
CID 95453750
(Z)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 170877218
5-(4-fluoro-3-methylphenyl)pent-4-enoic acid
CID 171372503
3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enal
CID 169459810
5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
CID 171372447
5-(4-aminobut-1-enyl)-2-(trifluoromethoxy)aniline
CID 170487799
5-(3,4-dihydroxyphenyl)pent-4-enoic acid
CID 90882623
butyl 3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enoate
CID 67052573
5-(3-methoxy-4-methylphenyl)pent-4-enoic acid
CID 54082412
9H-fluoren-9-ylmethyl N-[3-[3-fluoro-4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169470410
5-(4-chloro-3-methoxyphenyl)pent-4-enoic acid
CID 171372515
(E)-5-naphthalen-2-ylpent-4-enoic acid
CID 10263103

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid?
The IUPAC name of 5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid (CID 171372582) is 5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid.
What is the SMILES notation for 5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid?
The canonical SMILES for 5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid is O=C(O)CCC=Cc1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid?
The InChIKey is HPSOXGGWNUDIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4O3/c13-9-7-8(3-1-2-4-11(17)18)5-6-10(9)19-12(14,15)16/h1,3,5-7H,2,4H2,(H,17,18).
What are the key properties of 5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid?
5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid has a molecular weight of 278.20 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid is sourced from PubChem (CID 171372582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).