1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol

C10H10ClFO — CID 68719259

IUPAC1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol
SMILESOC1(c2ccc(Cl)c(F)c2)CCC1
InChIInChI=1S/C10H10ClFO/c11-8-3-2-7(6-9(8)12)10(13)4-1-5-10/h2-3,6,13H,1,4-5H2
InChIKeyZUKCUZOFFBSFSO-UHFFFAOYSA-N
MW200.64 g/mol
LogP2.85
Rot. Bonds1

About 1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol

1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol (PubChem CID 68719259) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol
PubChem CID68719259
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol
SMILESOC1(c2ccc(Cl)c(F)c2)CCC1
InChIInChI=1S/C10H10ClFO/c11-8-3-2-7(6-9(8)12)10(13)4-1-5-10/h2-3,6,13H,1,4-5H2
InChIKeyZUKCUZOFFBSFSO-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol (CID 68719259) is 1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol is OC1(c2ccc(Cl)c(F)c2)CCC1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol?
The InChIKey is ZUKCUZOFFBSFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c11-8-3-2-7(6-9(8)12)10(13)4-1-5-10/h2-3,6,13H,1,4-5H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol?
1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol has a molecular weight of 200.64 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)cyclobutan-1-ol is sourced from PubChem (CID 68719259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).