4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol

C12H19FO — CID 173114676

IUPAC4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol
SMILESOC1CCC(C2(F)C=CCCC2)CC1
InChIInChI=1S/C12H19FO/c13-12(8-2-1-3-9-12)10-4-6-11(14)7-5-10/h2,8,10-11,14H,1,3-7,9H2
InChIKeyQTDCBUIAPPYBPN-UHFFFAOYSA-N
MW198.28 g/mol
LogP2.99
Rot. Bonds1

About 4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol

4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol (PubChem CID 173114676) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol
PubChem CID173114676
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol
SMILESOC1CCC(C2(F)C=CCCC2)CC1
InChIInChI=1S/C12H19FO/c13-12(8-2-1-3-9-12)10-4-6-11(14)7-5-10/h2,8,10-11,14H,1,3-7,9H2
InChIKeyQTDCBUIAPPYBPN-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.99
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 4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol (CID 173114676) is 4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol is OC1CCC(C2(F)C=CCCC2)CC1.
What is the InChIKey of 4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol?
The InChIKey is QTDCBUIAPPYBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO/c13-12(8-2-1-3-9-12)10-4-6-11(14)7-5-10/h2,8,10-11,14H,1,3-7,9H2.
What are the key properties of 4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol?
4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol has a molecular weight of 198.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluorocyclohex-2-en-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 173114676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).