1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol

C11H12ClFO — CID 171367784

IUPAC1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol
SMILESCc1cc(F)c(C2(O)CCC2)cc1Cl
InChIInChI=1S/C11H12ClFO/c1-7-5-10(13)8(6-9(7)12)11(14)3-2-4-11/h5-6,14H,2-4H2,1H3
InChIKeyXSVBFHUIZOBXJZ-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.16
Rot. Bonds1

About 1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol

1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol (PubChem CID 171367784) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol
PubChem CID171367784
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol
SMILESCc1cc(F)c(C2(O)CCC2)cc1Cl
InChIInChI=1S/C11H12ClFO/c1-7-5-10(13)8(6-9(7)12)11(14)3-2-4-11/h5-6,14H,2-4H2,1H3
InChIKeyXSVBFHUIZOBXJZ-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol?
The IUPAC name of 1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol (CID 171367784) is 1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol?
The canonical SMILES for 1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol is Cc1cc(F)c(C2(O)CCC2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol?
The InChIKey is XSVBFHUIZOBXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-7-5-10(13)8(6-9(7)12)11(14)3-2-4-11/h5-6,14H,2-4H2,1H3.
What are the key properties of 1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol?
1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol has a molecular weight of 214.67 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluoro-4-methylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 171367784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).