1-fluoro-2-methylidenecyclohexane

C7H11F — CID 23528896

IUPAC1-fluoro-2-methylidenecyclohexane
SMILESC=C1CCCCC1F
InChIInChI=1S/C7H11F/c1-6-4-2-3-5-7(6)8/h7H,1-5H2
InChIKeyKUTVNGMQVMHBNS-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.45
Rot. Bonds

About 1-fluoro-2-methylidenecyclohexane

1-fluoro-2-methylidenecyclohexane (PubChem CID 23528896) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 1-fluoro-2-methylidenecyclohexane.

Molecular Properties

Compound Name1-fluoro-2-methylidenecyclohexane
PubChem CID23528896
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name1-fluoro-2-methylidenecyclohexane
SMILESC=C1CCCCC1F
InChIInChI=1S/C7H11F/c1-6-4-2-3-5-7(6)8/h7H,1-5H2
InChIKeyKUTVNGMQVMHBNS-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.45
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

Methylenecyclohexane
CID 14502
Cyclohexane, 1,4-bis(methylene)-
CID 21083
1,1-Difluoro-4-methylidenecyclohexane
CID 57493857
Fluoromethylidenecyclohexane
CID 135059926
1-(Difluoromethylidene)-4-methylidenecyclohexane
CID 12965534
Cyclohexane, 1,3-bis(methylene)-
CID 142905
1-(Fluoromethylidene)-2-methylidenecyclohexane
CID 90982289
1,3,5-Trimethylenecyclohexane
CID 12603038
Lithium methanidylidenecyclohexane
CID 14046088
(1S)-1-fluoro-3-methylidenecyclohexane
CID 68390671
1-Fluoro-3-methylidenecyclohexane
CID 77494831
1,2,3-Trifluoro-5-methylidenecyclohexane
CID 89357397

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylidenecyclohexane?
The IUPAC name of 1-fluoro-2-methylidenecyclohexane (CID 23528896) is 1-fluoro-2-methylidenecyclohexane.
What is the SMILES notation for 1-fluoro-2-methylidenecyclohexane?
The canonical SMILES for 1-fluoro-2-methylidenecyclohexane is C=C1CCCCC1F.
What is the InChIKey of 1-fluoro-2-methylidenecyclohexane?
The InChIKey is KUTVNGMQVMHBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c1-6-4-2-3-5-7(6)8/h7H,1-5H2.
What are the key properties of 1-fluoro-2-methylidenecyclohexane?
1-fluoro-2-methylidenecyclohexane has a molecular weight of 114.16 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylidenecyclohexane is sourced from PubChem (CID 23528896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).