3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid

C11H8ClF3O2 — CID 56977935

IUPAC3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid
SMILESO=C(O)CC(C=C(F)F)c1c(F)cccc1Cl
InChIInChI=1S/C11H8ClF3O2/c12-7-2-1-3-8(13)11(7)6(4-9(14)15)5-10(16)17/h1-4,6H,5H2,(H,16,17)
InChIKeyALSPWVDUVPDATJ-UHFFFAOYSA-N
MW264.63 g/mol
LogP3.82
Rot. Bonds4

About 3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid

3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid (PubChem CID 56977935) has the molecular formula C11H8ClF3O2 and a molecular weight of 264.63 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid
PubChem CID56977935
Molecular FormulaC11H8ClF3O2
Molecular Weight264.63 g/mol
Exact Mass264.02
IUPAC Name3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid
SMILESO=C(O)CC(C=C(F)F)c1c(F)cccc1Cl
InChIInChI=1S/C11H8ClF3O2/c12-7-2-1-3-8(13)11(7)6(4-9(14)15)5-10(16)17/h1-4,6H,5H2,(H,16,17)
InChIKeyALSPWVDUVPDATJ-UHFFFAOYSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.63
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-6-fluorophenyl)pentanedioic acid
CID 82132940
(3S)-3-(2-chloro-6-fluorophenyl)-3-hydroxypropanoic acid
CID 94425333
3-(2-chloro-6-fluorophenyl)-3-cyclopropylpropanoic acid
CID 117358615
(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid
CID 78961885
3-(2-chloro-6-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823544
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
4-(2-chloro-6-fluorophenyl)-3-cyclopropylbutanoic acid
CID 82089060
5-(2-chloro-6-fluorophenyl)-3-hydroxypentanoic acid
CID 82086344
(2R)-2-(2-chloro-6-fluorophenyl)-2-(methylamino)acetic acid
CID 93280060
2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid
CID 82158643
2-(2-chloro-6-fluorophenyl)hexanoic acid
CID 175420483
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanedioic acid
CID 113226112

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid (CID 56977935) is 3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid is O=C(O)CC(C=C(F)F)c1c(F)cccc1Cl.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid?
The InChIKey is ALSPWVDUVPDATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3O2/c12-7-2-1-3-8(13)11(7)6(4-9(14)15)5-10(16)17/h1-4,6H,5H2,(H,16,17).
What are the key properties of 3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid?
3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid has a molecular weight of 264.63 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-5,5-difluoropent-4-enoic acid is sourced from PubChem (CID 56977935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).