(1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol

C15H21FO — CID 118018278

IUPAC(1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol
SMILESC=CC1CC(C)=C(C2=CCC(F)CC2)[C@@H](O)C1
InChIInChI=1S/C15H21FO/c1-3-11-8-10(2)15(14(17)9-11)12-4-6-13(16)7-5-12/h3-4,11,13-14,17H,1,5-9H2,2H3/t11?,13?,14-/m0/s1
InChIKeyIMTMJSASMPZWQI-UBHUBRDASA-N
MW236.33 g/mol
LogP3.71
Rot. Bonds2

About (1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol

(1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol (PubChem CID 118018278) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is (1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol
PubChem CID118018278
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name(1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol
SMILESC=CC1CC(C)=C(C2=CCC(F)CC2)[C@@H](O)C1
InChIInChI=1S/C15H21FO/c1-3-11-8-10(2)15(14(17)9-11)12-4-6-13(16)7-5-12/h3-4,11,13-14,17H,1,5-9H2,2H3/t11?,13?,14-/m0/s1
InChIKeyIMTMJSASMPZWQI-UBHUBRDASA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.71
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)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol?
The IUPAC name of (1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol (CID 118018278) is (1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol is C=CC1CC(C)=C(C2=CCC(F)CC2)[C@@H](O)C1.
What is the InChIKey of (1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol?
The InChIKey is IMTMJSASMPZWQI-UBHUBRDASA-N. The full InChI is InChI=1S/C15H21FO/c1-3-11-8-10(2)15(14(17)9-11)12-4-6-13(16)7-5-12/h3-4,11,13-14,17H,1,5-9H2,2H3/t11?,13?,14-/m0/s1.
What are the key properties of (1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol?
(1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol has a molecular weight of 236.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-ethenyl-2-(4-fluorocyclohexen-1-yl)-3-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 118018278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).