1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane

C10H12F6 — CID 146803790

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane
SMILESCC1CCC(=C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H12F6/c1-6-2-4-7(5-3-6)8(9(11,12)13)10(14,15)16/h6H,2-5H2,1H3
InChIKeyRYLBLPFDUZBGPE-UHFFFAOYSA-N
MW246.19 g/mol
LogP4.62
Rot. Bonds

About 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane

1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane (PubChem CID 146803790) has the molecular formula C10H12F6 and a molecular weight of 246.19 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane
PubChem CID146803790
Molecular FormulaC10H12F6
Molecular Weight246.19 g/mol
Exact Mass246.08
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane
SMILESCC1CCC(=C(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H12F6/c1-6-2-4-7(5-3-6)8(9(11,12)13)10(14,15)16/h6H,2-5H2,1H3
InChIKeyRYLBLPFDUZBGPE-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 54.62
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

[(Z)-Pentafluoro-1-propenyl]cyclohexane
CID 10751111
Decafluoro-alpha-methylstyrene
CID 129878302
cis-(1S,3R)-1,3-bis[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexane
CID 10807360
[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane
CID 11747114
1-Cyclohexyl-2,3,3,3-tetrafluoro-1-propene
CID 15497043
6-(1,1,1,2,2,4,4,5,5,5-Decafluoropentan-3-ylidene)-1,1,2,2,3,3,4,5,5-nonafluoro-4-(fluoromethyl)cyclohexane
CID 17960238
1-Fluoro-4-(1,2,2-trifluoroethenyl)cyclohexane
CID 19961274
1-(Difluoromethylidene)-4-methylcyclohexane
CID 20612495
1,2,3,3,6,6-Hexafluoro-4,5-dimethylcyclohexene
CID 20802222
2-Fluoro-1,4-dimethylcyclohexene
CID 22942559
1,1,1,2-Tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-3-ene
CID 23440026
1,1,1,4-Tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)oct-2-ene
CID 23440027

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane (CID 146803790) is 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane is CC1CCC(=C(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane?
The InChIKey is RYLBLPFDUZBGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6/c1-6-2-4-7(5-3-6)8(9(11,12)13)10(14,15)16/h6H,2-5H2,1H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane?
1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane has a molecular weight of 246.19 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methylcyclohexane is sourced from PubChem (CID 146803790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).