(1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol

C8H13FO — CID 138626248

IUPAC(1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol
SMILESC=C[C@@H]1C[C@@H](O)CC[C@H]1F
InChIInChI=1S/C8H13FO/c1-2-6-5-7(10)3-4-8(6)9/h2,6-8,10H,1,3-5H2/t6-,7+,8-/m1/s1
InChIKeyLJNUCINBUBZGFH-GJMOJQLCSA-N
MW144.19 g/mol
LogP1.67
Rot. Bonds1

About (1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol

(1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol (PubChem CID 138626248) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is (1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol.

Molecular Properties

Compound Name(1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol
PubChem CID138626248
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol
SMILESC=C[C@@H]1C[C@@H](O)CC[C@H]1F
InChIInChI=1S/C8H13FO/c1-2-6-5-7(10)3-4-8(6)9/h2,6-8,10H,1,3-5H2/t6-,7+,8-/m1/s1
InChIKeyLJNUCINBUBZGFH-GJMOJQLCSA-N
XLogP1.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.67
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 (1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol?
The IUPAC name of (1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol (CID 138626248) is (1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol.
What is the SMILES notation for (1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol?
The canonical SMILES for (1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol is C=C[C@@H]1C[C@@H](O)CC[C@H]1F.
What is the InChIKey of (1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol?
The InChIKey is LJNUCINBUBZGFH-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H13FO/c1-2-6-5-7(10)3-4-8(6)9/h2,6-8,10H,1,3-5H2/t6-,7+,8-/m1/s1.
What are the key properties of (1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol?
(1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol has a molecular weight of 144.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4R)-3-ethenyl-4-fluorocyclohexan-1-ol is sourced from PubChem (CID 138626248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).