1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane

C10H16F2 — CID 134254901

IUPAC1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane
SMILESCC(C)=CC1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2/c1-8(2)7-9-3-5-10(11,12)6-4-9/h7,9H,3-6H2,1-2H3
InChIKeySUNWBPVJYMMEGC-UHFFFAOYSA-N
MW174.23 g/mol
LogP3.78
Rot. Bonds1

About 1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane

1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane (PubChem CID 134254901) has the molecular formula C10H16F2 and a molecular weight of 174.23 g/mol. Its IUPAC name is 1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane
PubChem CID134254901
Molecular FormulaC10H16F2
Molecular Weight174.23 g/mol
Exact Mass174.12
IUPAC Name1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane
SMILESCC(C)=CC1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2/c1-8(2)7-9-3-5-10(11,12)6-4-9/h7,9H,3-6H2,1-2H3
InChIKeySUNWBPVJYMMEGC-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane?
The IUPAC name of 1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane (CID 134254901) is 1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane?
The canonical SMILES for 1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane is CC(C)=CC1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane?
The InChIKey is SUNWBPVJYMMEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2/c1-8(2)7-9-3-5-10(11,12)6-4-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane?
1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane has a molecular weight of 174.23 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-(2-methylprop-1-enyl)cyclohexane is sourced from PubChem (CID 134254901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).