1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol

C11H12ClFO — CID 103039079

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
SMILESOC1(Cc2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C11H12ClFO/c12-9-6-8(2-3-10(9)13)7-11(14)4-1-5-11/h2-3,6,14H,1,4-5,7H2
InChIKeyFRUROBUZOVSZTP-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.94
Rot. Bonds2

About 1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol

1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol (PubChem CID 103039079) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
PubChem CID103039079
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
SMILESOC1(Cc2ccc(F)c(Cl)c2)CCC1
InChIInChI=1S/C11H12ClFO/c12-9-6-8(2-3-10(9)13)7-11(14)4-1-5-11/h2-3,6,14H,1,4-5,7H2
InChIKeyFRUROBUZOVSZTP-UHFFFAOYSA-N
XLogP2.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-chloro-4-[[1-(chloromethyl)cyclobutyl]methyl]-1-fluorobenzene
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1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
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1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
1-[[(3-chloro-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 62538939
1-[(3-chloro-4-fluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 103039036
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
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1-[(3-chloro-4-fluorophenyl)methyl]-2-ethylcyclopentan-1-ol
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CID 117341493

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol (CID 103039079) is 1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol is OC1(Cc2ccc(F)c(Cl)c2)CCC1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol?
The InChIKey is FRUROBUZOVSZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c12-9-6-8(2-3-10(9)13)7-11(14)4-1-5-11/h2-3,6,14H,1,4-5,7H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol?
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol has a molecular weight of 214.67 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 103039079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).