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

C12H11F3O2 — CID 171372447

IUPAC5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
SMILESO=C(O)CCC=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)10-6-3-5-9(8-10)4-1-2-7-11(16)17/h1,3-6,8H,2,7H2,(H,16,17)
InChIKeyVKSPKDXGDCLTJC-UHFFFAOYSA-N
MW244.21 g/mol
LogP3.58
Rot. Bonds4

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

5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid (PubChem CID 171372447) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
PubChem CID171372447
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
SMILESO=C(O)CCC=Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3O2/c13-12(14,15)10-6-3-5-9(8-10)4-1-2-7-11(16)17/h1,3-6,8H,2,7H2,(H,16,17)
InChIKeyVKSPKDXGDCLTJC-UHFFFAOYSA-N
XLogP3.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene
CID 79016492
(E)-5-phenylpent-4-enoic acid
CID 5370650
5-(3-chlorophenyl)pent-4-enoic acid
CID 72993428
3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid
CID 154255503
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79599160
5-[3-fluoro-4-(trifluoromethoxy)phenyl]pent-4-enoic acid
CID 171372582
2-[3-[3-(trifluoromethyl)phenyl]prop-2-enoxyamino]prop-2-enoic acid
CID 56636125
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564
1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene
CID 71608776
(E)-5-naphthalen-2-ylpent-4-enoic acid
CID 10263103

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid (CID 171372447) is 5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid is O=C(O)CCC=Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid?
The InChIKey is VKSPKDXGDCLTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c13-12(14,15)10-6-3-5-9(8-10)4-1-2-7-11(16)17/h1,3-6,8H,2,7H2,(H,16,17).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid?
5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid has a molecular weight of 244.21 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid is sourced from PubChem (CID 171372447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).