4-fluoro-1-methylidene-2-propan-2-ylcyclohexane

C10H17F — CID 123303828

IUPAC4-fluoro-1-methylidene-2-propan-2-ylcyclohexane
SMILESC=C1CCC(F)CC1C(C)C
InChIInChI=1S/C10H17F/c1-7(2)10-6-9(11)5-4-8(10)3/h7,9-10H,3-6H2,1-2H3
InChIKeyLWPBDMFDWKUMBZ-UHFFFAOYSA-N
MW156.24 g/mol
LogP3.34
Rot. Bonds1

About 4-fluoro-1-methylidene-2-propan-2-ylcyclohexane

4-fluoro-1-methylidene-2-propan-2-ylcyclohexane (PubChem CID 123303828) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is 4-fluoro-1-methylidene-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name4-fluoro-1-methylidene-2-propan-2-ylcyclohexane
PubChem CID123303828
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name4-fluoro-1-methylidene-2-propan-2-ylcyclohexane
SMILESC=C1CCC(F)CC1C(C)C
InChIInChI=1S/C10H17F/c1-7(2)10-6-9(11)5-4-8(10)3/h7,9-10H,3-6H2,1-2H3
InChIKeyLWPBDMFDWKUMBZ-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.34
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 4-fluoro-1-methylidene-2-propan-2-ylcyclohexane?
The IUPAC name of 4-fluoro-1-methylidene-2-propan-2-ylcyclohexane (CID 123303828) is 4-fluoro-1-methylidene-2-propan-2-ylcyclohexane.
What is the SMILES notation for 4-fluoro-1-methylidene-2-propan-2-ylcyclohexane?
The canonical SMILES for 4-fluoro-1-methylidene-2-propan-2-ylcyclohexane is C=C1CCC(F)CC1C(C)C.
What is the InChIKey of 4-fluoro-1-methylidene-2-propan-2-ylcyclohexane?
The InChIKey is LWPBDMFDWKUMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F/c1-7(2)10-6-9(11)5-4-8(10)3/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 4-fluoro-1-methylidene-2-propan-2-ylcyclohexane?
4-fluoro-1-methylidene-2-propan-2-ylcyclohexane has a molecular weight of 156.24 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylidene-2-propan-2-ylcyclohexane is sourced from PubChem (CID 123303828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).