4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol

C10H17FO2 — CID 123468114

IUPAC4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol
SMILESCC(C)=CC(CC(O)CO)=C(C)F
InChIInChI=1S/C10H17FO2/c1-7(2)4-9(8(3)11)5-10(13)6-12/h4,10,12-13H,5-6H2,1-3H3
InChIKeyLDTHIMCWKOTVBM-UHFFFAOYSA-N
MW188.24 g/mol
LogP1.94
Rot. Bonds4

About 4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol

4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol (PubChem CID 123468114) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol.

Molecular Properties

Compound Name4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol
PubChem CID123468114
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol
SMILESCC(C)=CC(CC(O)CO)=C(C)F
InChIInChI=1S/C10H17FO2/c1-7(2)4-9(8(3)11)5-10(13)6-12/h4,10,12-13H,5-6H2,1-3H3
InChIKeyLDTHIMCWKOTVBM-UHFFFAOYSA-N
XLogP1.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol?
The IUPAC name of 4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol (CID 123468114) is 4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol.
What is the SMILES notation for 4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol?
The canonical SMILES for 4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol is CC(C)=CC(CC(O)CO)=C(C)F.
What is the InChIKey of 4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol?
The InChIKey is LDTHIMCWKOTVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-7(2)4-9(8(3)11)5-10(13)6-12/h4,10,12-13H,5-6H2,1-3H3.
What are the key properties of 4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol?
4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol has a molecular weight of 188.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethylidene)-6-methylhept-5-ene-1,2-diol is sourced from PubChem (CID 123468114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).