5-fluoropent-4-enoic acid

C5H7FO2 — CID 173120467

IUPAC5-fluoropent-4-enoic acid
SMILESO=C(O)CCC=CF
InChIInChI=1S/C5H7FO2/c6-4-2-1-3-5(7)8/h2,4H,1,3H2,(H,7,8)
InChIKeyMSAFFDOJKDGGPW-UHFFFAOYSA-N
MW118.11 g/mol
LogP1.33
Rot. Bonds3

About 5-fluoropent-4-enoic acid

5-fluoropent-4-enoic acid (PubChem CID 173120467) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 5-fluoropent-4-enoic acid.

Molecular Properties

Compound Name5-fluoropent-4-enoic acid
PubChem CID173120467
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name5-fluoropent-4-enoic acid
SMILESO=C(O)CCC=CF
InChIInChI=1S/C5H7FO2/c6-4-2-1-3-5(7)8/h2,4H,1,3H2,(H,7,8)
InChIKeyMSAFFDOJKDGGPW-UHFFFAOYSA-N
XLogP1.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4E,8E)-dodeca-4,8-dienedioic acid
CID 6537917
7,7,7-trifluorohept-4-enoic acid
CID 154391646
(E)-octadec-4-enedioic acid
CID 166071490
hept-4-enoic acid;hydrochloride
CID 143782457
(E)-pentadec-4-enedioic acid
CID 156873655
(E)-6-amino-6-oxohex-4-enoic acid
CID 15250668
(Z)-6-(carbonofluoridoylamino)hex-4-enoic acid
CID 130266373
(Z)-6-methylhept-4-enoic acid
CID 55298227
6-phosphonohex-4-enoic acid
CID 173274154
8-oxoocta-4,6-dienoic acid
CID 71446452
(E)-8-aminooct-4-enoic acid
CID 6365538
(4Z,7Z,10Z)-dodeca-4,7,10-trienoic acid
CID 88900992

Frequently Asked Questions

What is the IUPAC name of 5-fluoropent-4-enoic acid?
The IUPAC name of 5-fluoropent-4-enoic acid (CID 173120467) is 5-fluoropent-4-enoic acid.
What is the SMILES notation for 5-fluoropent-4-enoic acid?
The canonical SMILES for 5-fluoropent-4-enoic acid is O=C(O)CCC=CF.
What is the InChIKey of 5-fluoropent-4-enoic acid?
The InChIKey is MSAFFDOJKDGGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c6-4-2-1-3-5(7)8/h2,4H,1,3H2,(H,7,8).
What are the key properties of 5-fluoropent-4-enoic acid?
5-fluoropent-4-enoic acid has a molecular weight of 118.11 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropent-4-enoic acid is sourced from PubChem (CID 173120467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).