1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol

C14H20FNO — CID 112585853

IUPAC1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCC(O)(c1ccc(F)cn1)C1CCCCC1
InChIInChI=1S/C14H20FNO/c1-2-14(17,11-6-4-3-5-7-11)13-9-8-12(15)10-16-13/h8-11,17H,2-7H2,1H3
InChIKeyGYLDCEADLUJBAY-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.40
Rot. Bonds3

About 1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol

1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 112585853) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID112585853
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCC(O)(c1ccc(F)cn1)C1CCCCC1
InChIInChI=1S/C14H20FNO/c1-2-14(17,11-6-4-3-5-7-11)13-9-8-12(15)10-16-13/h8-11,17H,2-7H2,1H3
InChIKeyGYLDCEADLUJBAY-UHFFFAOYSA-N
XLogP3.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 112585853) is 1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol is CCC(O)(c1ccc(F)cn1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is GYLDCEADLUJBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-2-14(17,11-6-4-3-5-7-11)13-9-8-12(15)10-16-13/h8-11,17H,2-7H2,1H3.
What are the key properties of 1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol?
1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 112585853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).