[1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol

C16H14Cl2FNO — CID 127043859

IUPAC[1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol
SMILESOC(c1cc(F)ccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C16H14Cl2FNO/c17-12-3-2-10(8-13(12)18)16(5-1-6-16)15(21)14-9-11(19)4-7-20-14/h2-4,7-9,15,21H,1,5-6H2
InChIKeyWTYAITRTJMIGPR-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.68
Rot. Bonds3

About [1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol

[1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol (PubChem CID 127043859) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol
PubChem CID127043859
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC Name[1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol
SMILESOC(c1cc(F)ccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C16H14Cl2FNO/c17-12-3-2-10(8-13(12)18)16(5-1-6-16)15(21)14-9-11(19)4-7-20-14/h2-4,7-9,15,21H,1,5-6H2
InChIKeyWTYAITRTJMIGPR-UHFFFAOYSA-N
XLogP4.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol?
The IUPAC name of [1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol (CID 127043859) is [1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol.
What is the SMILES notation for [1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol?
The canonical SMILES for [1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol is OC(c1cc(F)ccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of [1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol?
The InChIKey is WTYAITRTJMIGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c17-12-3-2-10(8-13(12)18)16(5-1-6-16)15(21)14-9-11(19)4-7-20-14/h2-4,7-9,15,21H,1,5-6H2.
What are the key properties of [1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol?
[1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol has a molecular weight of 326.20 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)cyclobutyl]-(4-fluoro-2-pyridinyl)methanol is sourced from PubChem (CID 127043859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).