1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid

C12H9ClF4O2 — CID 117114219

IUPAC1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)c(F)c(Cl)c(F)c2F)CCCC1
InChIInChI=1S/C12H9ClF4O2/c13-6-9(16)7(14)5(8(15)10(6)17)12(11(18)19)3-1-2-4-12/h1-4H2,(H,18,19)
InChIKeyRVOYTLMBLYXSHX-UHFFFAOYSA-N
MW296.65 g/mol
LogP3.79
Rot. Bonds2

About 1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid

1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid (PubChem CID 117114219) has the molecular formula C12H9ClF4O2 and a molecular weight of 296.65 g/mol. Its IUPAC name is 1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid
PubChem CID117114219
Molecular FormulaC12H9ClF4O2
Molecular Weight296.65 g/mol
Exact Mass296.02
IUPAC Name1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2c(F)c(F)c(Cl)c(F)c2F)CCCC1
InChIInChI=1S/C12H9ClF4O2/c13-6-9(16)7(14)5(8(15)10(6)17)12(11(18)19)3-1-2-4-12/h1-4H2,(H,18,19)
InChIKeyRVOYTLMBLYXSHX-UHFFFAOYSA-N
XLogP3.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.65
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutane-1-carboxylic acid
CID 117114345
1-(3-chloro-2,6-difluoro-5-methylphenyl)cyclopentane-1-carboxylic acid
CID 117439165
1-(3-chloro-2,4,5-trifluorophenyl)cyclohexane-1-carboxylic acid
CID 117114085
4-(1-carboxycyclopropyl)-2,3,5,6-tetrafluorobenzoic acid
CID 117445646
1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclopropane-1-carboxylic acid
CID 117112363
1-(2,3,6-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 83412127
1-(2,6-difluoro-3,5-dihydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117361873
1-(2-chloro-3,6-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117337093
1-(3-chloro-2,5-difluoro-6-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117469702
1-(6-chloro-2-fluoro-3-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117462402
1-(2,5-difluoro-3,6-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117388765
1-(6-chloro-3-fluoro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117363611

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid (CID 117114219) is 1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2c(F)c(F)c(Cl)c(F)c2F)CCCC1.
What is the InChIKey of 1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid?
The InChIKey is RVOYTLMBLYXSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF4O2/c13-6-9(16)7(14)5(8(15)10(6)17)12(11(18)19)3-1-2-4-12/h1-4H2,(H,18,19).
What are the key properties of 1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid?
1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid has a molecular weight of 296.65 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117114219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).