1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol

C15H21FO — CID 170067821

IUPAC1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(C2CC(C(C)F)C2)cc1
InChIInChI=1S/C15H21FO/c1-10(17)7-12-3-5-13(6-4-12)15-8-14(9-15)11(2)16/h3-6,10-11,14-15,17H,7-9H2,1-2H3
InChIKeyGUDLQCLVJBSXHP-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.46
Rot. Bonds4

About 1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol

1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol (PubChem CID 170067821) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol
PubChem CID170067821
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(C2CC(C(C)F)C2)cc1
InChIInChI=1S/C15H21FO/c1-10(17)7-12-3-5-13(6-4-12)15-8-14(9-15)11(2)16/h3-6,10-11,14-15,17H,7-9H2,1-2H3
InChIKeyGUDLQCLVJBSXHP-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol?
The IUPAC name of 1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol (CID 170067821) is 1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol?
The canonical SMILES for 1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol is CC(O)Cc1ccc(C2CC(C(C)F)C2)cc1.
What is the InChIKey of 1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol?
The InChIKey is GUDLQCLVJBSXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-10(17)7-12-3-5-13(6-4-12)15-8-14(9-15)11(2)16/h3-6,10-11,14-15,17H,7-9H2,1-2H3.
What are the key properties of 1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol?
1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol has a molecular weight of 236.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1-fluoroethyl)cyclobutyl]phenyl]propan-2-ol is sourced from PubChem (CID 170067821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).