1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol

C10H16F2O — CID 89073460

IUPAC1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol
SMILESC=CC1CCC(C(C)O)C(F)C1F
InChIInChI=1S/C10H16F2O/c1-3-7-4-5-8(6(2)13)10(12)9(7)11/h3,6-10,13H,1,4-5H2,2H3
InChIKeyFCCDOULZAUKIBN-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.26
Rot. Bonds2

About 1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol

1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol (PubChem CID 89073460) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol.

Molecular Properties

Compound Name1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol
PubChem CID89073460
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol
SMILESC=CC1CCC(C(C)O)C(F)C1F
InChIInChI=1S/C10H16F2O/c1-3-7-4-5-8(6(2)13)10(12)9(7)11/h3,6-10,13H,1,4-5H2,2H3
InChIKeyFCCDOULZAUKIBN-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol?
The IUPAC name of 1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol (CID 89073460) is 1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol.
What is the SMILES notation for 1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol?
The canonical SMILES for 1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol is C=CC1CCC(C(C)O)C(F)C1F.
What is the InChIKey of 1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol?
The InChIKey is FCCDOULZAUKIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-3-7-4-5-8(6(2)13)10(12)9(7)11/h3,6-10,13H,1,4-5H2,2H3.
What are the key properties of 1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol?
1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol has a molecular weight of 190.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-2,3-difluorocyclohexyl)ethanol is sourced from PubChem (CID 89073460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).