1-methylcyclohexene;hydrofluoride

C7H13F — CID 157219805

IUPAC1-methylcyclohexene;hydrofluoride
SMILESCC1=CCCCC1.F
InChIInChI=1S/C7H12.FH/c1-7-5-3-2-4-6-7;/h5H,2-4,6H2,1H3;1H
InChIKeyASVQHHVKEJRRMI-UHFFFAOYSA-N
MW116.18 g/mol
LogP2.66
Rot. Bonds

About 1-methylcyclohexene;hydrofluoride

1-methylcyclohexene;hydrofluoride (PubChem CID 157219805) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is 1-methylcyclohexene;hydrofluoride.

Molecular Properties

Compound Name1-methylcyclohexene;hydrofluoride
PubChem CID157219805
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Name1-methylcyclohexene;hydrofluoride
SMILESCC1=CCCCC1.F
InChIInChI=1S/C7H12.FH/c1-7-5-3-2-4-6-7;/h5H,2-4,6H2,1H3;1H
InChIKeyASVQHHVKEJRRMI-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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3-methylbutan-2-ol;1-methylcyclohexene
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(12-methyl-1-oxacycloheptadec-12-en-2-yl)phosphane
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CID 5365761
1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene
CID 158493904
(6Z)-6-methyl-1-oxacyclohexadec-6-en-3-one
CID 168932403
1-methylcyclobutene;sulfane
CID 90109296
ethane;1-methylcyclobutene
CID 91484029
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CID 173429173

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexene;hydrofluoride?
The IUPAC name of 1-methylcyclohexene;hydrofluoride (CID 157219805) is 1-methylcyclohexene;hydrofluoride.
What is the SMILES notation for 1-methylcyclohexene;hydrofluoride?
The canonical SMILES for 1-methylcyclohexene;hydrofluoride is CC1=CCCCC1.F.
What is the InChIKey of 1-methylcyclohexene;hydrofluoride?
The InChIKey is ASVQHHVKEJRRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.FH/c1-7-5-3-2-4-6-7;/h5H,2-4,6H2,1H3;1H.
What are the key properties of 1-methylcyclohexene;hydrofluoride?
1-methylcyclohexene;hydrofluoride has a molecular weight of 116.18 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexene;hydrofluoride is sourced from PubChem (CID 157219805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).