3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol

C11H13FO — CID 142357927

IUPAC3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol
SMILESCc1ccc(C2(F)CC(O)C2)cc1
InChIInChI=1S/C11H13FO/c1-8-2-4-9(5-3-8)11(12)6-10(13)7-11/h2-5,10,13H,6-7H2,1H3
InChIKeyCRRFWKYRXORQRP-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.31
Rot. Bonds1

About 3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol

3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol (PubChem CID 142357927) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol
PubChem CID142357927
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol
SMILESCc1ccc(C2(F)CC(O)C2)cc1
InChIInChI=1S/C11H13FO/c1-8-2-4-9(5-3-8)11(12)6-10(13)7-11/h2-5,10,13H,6-7H2,1H3
InChIKeyCRRFWKYRXORQRP-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol?
The IUPAC name of 3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol (CID 142357927) is 3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol?
The canonical SMILES for 3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol is Cc1ccc(C2(F)CC(O)C2)cc1.
What is the InChIKey of 3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol?
The InChIKey is CRRFWKYRXORQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-8-2-4-9(5-3-8)11(12)6-10(13)7-11/h2-5,10,13H,6-7H2,1H3.
What are the key properties of 3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol?
3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol has a molecular weight of 180.22 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(4-methylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 142357927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).