2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane

C10H16F2O — CID 89273811

IUPAC2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(C)C(F)C1F
InChIInChI=1S/C10H16F2O/c1-3-6-13-8-5-4-7(2)9(11)10(8)12/h3,7-10H,1,4-6H2,2H3
InChIKeyNMTJHVPKEOLWAS-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.66
Rot. Bonds3

About 2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane

2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane (PubChem CID 89273811) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane.

Molecular Properties

Compound Name2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane
PubChem CID89273811
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane
SMILESC=CCOC1CCC(C)C(F)C1F
InChIInChI=1S/C10H16F2O/c1-3-6-13-8-5-4-7(2)9(11)10(8)12/h3,7-10H,1,4-6H2,2H3
InChIKeyNMTJHVPKEOLWAS-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
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 2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane?
The IUPAC name of 2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane (CID 89273811) is 2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane.
What is the SMILES notation for 2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane?
The canonical SMILES for 2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane is C=CCOC1CCC(C)C(F)C1F.
What is the InChIKey of 2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane?
The InChIKey is NMTJHVPKEOLWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-3-6-13-8-5-4-7(2)9(11)10(8)12/h3,7-10H,1,4-6H2,2H3.
What are the key properties of 2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane?
2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane has a molecular weight of 190.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methyl-4-prop-2-enoxycyclohexane is sourced from PubChem (CID 89273811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).