1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane

C16H24F2 — CID 123885018

IUPAC1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane
SMILESFC1CCC(C(=C2CC2)C2CCC(F)CC2)CC1
InChIInChI=1S/C16H24F2/c17-14-7-3-12(4-8-14)16(11-1-2-11)13-5-9-15(18)10-6-13/h12-15H,1-10H2
InChIKeyGCIDNVHPPJOLTO-UHFFFAOYSA-N
MW254.36 g/mol
LogP5.13
Rot. Bonds2

About 1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane

1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane (PubChem CID 123885018) has the molecular formula C16H24F2 and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane.

Molecular Properties

Compound Name1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane
PubChem CID123885018
Molecular FormulaC16H24F2
Molecular Weight254.36 g/mol
Exact Mass254.18
IUPAC Name1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane
SMILESFC1CCC(C(=C2CC2)C2CCC(F)CC2)CC1
InChIInChI=1S/C16H24F2/c17-14-7-3-12(4-8-14)16(11-1-2-11)13-5-9-15(18)10-6-13/h12-15H,1-10H2
InChIKeyGCIDNVHPPJOLTO-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.36
LogP ≤ 55.13
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-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane?
The IUPAC name of 1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane (CID 123885018) is 1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane.
What is the SMILES notation for 1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane?
The canonical SMILES for 1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane is FC1CCC(C(=C2CC2)C2CCC(F)CC2)CC1.
What is the InChIKey of 1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane?
The InChIKey is GCIDNVHPPJOLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2/c17-14-7-3-12(4-8-14)16(11-1-2-11)13-5-9-15(18)10-6-13/h12-15H,1-10H2.
What are the key properties of 1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane?
1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane has a molecular weight of 254.36 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropylidene-(4-fluorocyclohexyl)methyl]-4-fluorocyclohexane is sourced from PubChem (CID 123885018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).