1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid

C11H10ClFO3 — CID 82802469

IUPAC1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)c2F)CC(O)C1
InChIInChI=1S/C11H10ClFO3/c12-8-3-1-2-7(9(8)13)11(10(15)16)4-6(14)5-11/h1-3,6,14H,4-5H2,(H,15,16)
InChIKeyMWBIQMGRXWQYGM-UHFFFAOYSA-N
MW244.65 g/mol
LogP1.96
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid

1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid (PubChem CID 82802469) has the molecular formula C11H10ClFO3 and a molecular weight of 244.65 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid
PubChem CID82802469
Molecular FormulaC11H10ClFO3
Molecular Weight244.65 g/mol
Exact Mass244.03
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(Cl)c2F)CC(O)C1
InChIInChI=1S/C11H10ClFO3/c12-8-3-1-2-7(9(8)13)11(10(15)16)4-6(14)5-11/h1-3,6,14H,4-5H2,(H,15,16)
InChIKeyMWBIQMGRXWQYGM-UHFFFAOYSA-N
XLogP1.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 82803603
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CID 82802680
1-(3-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 89184004
1-(3-chloro-2-fluorophenyl)cyclobutan-1-amine;1-(3-chloro-2-fluorophenyl)cyclobutane-1-carboxamide;hydrochloride
CID 158493819
1-(3-chloro-2-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 82618262
1-(2-chloro-6-fluorophenyl)-3-oxocyclobutane-1-carboxylic acid
CID 64904824
2-(3-chloro-2-fluorophenyl)-6-hydroxy-2-methylcyclohexan-1-one
CID 158142988
1-(2-amino-3-chlorophenyl)cyclohexane-1-carboxylic acid
CID 106702484
1-(2-fluorophenyl)-3-propylcyclobutane-1-carboxylic acid
CID 65014142
1-[3-chloro-2-(1-fluoroethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117395054
1-(4-chloro-3-fluoro-2-methoxyphenyl)cyclopentane-1-carboxylic acid
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5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008169

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid (CID 82802469) is 1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid is O=C(O)C1(c2cccc(Cl)c2F)CC(O)C1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid?
The InChIKey is MWBIQMGRXWQYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFO3/c12-8-3-1-2-7(9(8)13)11(10(15)16)4-6(14)5-11/h1-3,6,14H,4-5H2,(H,15,16).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid?
1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid has a molecular weight of 244.65 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-hydroxycyclobutane-1-carboxylic acid is sourced from PubChem (CID 82802469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).