4,4-difluoro-1,2-di(propan-2-yl)cyclohexene

C12H20F2 — CID 70937746

IUPAC4,4-difluoro-1,2-di(propan-2-yl)cyclohexene
SMILESCC(C)C1=C(C(C)C)CC(F)(F)CC1
InChIInChI=1S/C12H20F2/c1-8(2)10-5-6-12(13,14)7-11(10)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyUKYATOVEUAOYSH-UHFFFAOYSA-N
MW202.29 g/mol
LogP4.41
Rot. Bonds2

About 4,4-difluoro-1,2-di(propan-2-yl)cyclohexene

4,4-difluoro-1,2-di(propan-2-yl)cyclohexene (PubChem CID 70937746) has the molecular formula C12H20F2 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4,4-difluoro-1,2-di(propan-2-yl)cyclohexene.

Molecular Properties

Compound Name4,4-difluoro-1,2-di(propan-2-yl)cyclohexene
PubChem CID70937746
Molecular FormulaC12H20F2
Molecular Weight202.29 g/mol
Exact Mass202.15
IUPAC Name4,4-difluoro-1,2-di(propan-2-yl)cyclohexene
SMILESCC(C)C1=C(C(C)C)CC(F)(F)CC1
InChIInChI=1S/C12H20F2/c1-8(2)10-5-6-12(13,14)7-11(10)9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyUKYATOVEUAOYSH-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 54.41
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

1-Menthene
CID 25445
1,2,3-Trimethylcyclohex-1-ene
CID 12537123
2,4-Dimethyl-1-propan-2-ylcyclohexene
CID 86080885
Dimethylethyl cyclohexene
CID 129726891
[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane
CID 11747114
Undecane, 5-(difluoroethenylidene)-2-methyl-
CID 12161211
(Z)-1,1,1,2-Tetrafluoro-3-cyclopentyl-2-heptene
CID 15497040
1-Methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexene
CID 20578461
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
2-Fluoro-1,3-dimethylcyclohexene
CID 23443583
1-Ethyl-3-(3,3,3-trifluoropropyl)cyclohexene
CID 56630849
1-Methyl-4-(1,1,1-trifluoroheptan-4-yl)cyclohexene
CID 57228493

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1,2-di(propan-2-yl)cyclohexene?
The IUPAC name of 4,4-difluoro-1,2-di(propan-2-yl)cyclohexene (CID 70937746) is 4,4-difluoro-1,2-di(propan-2-yl)cyclohexene.
What is the SMILES notation for 4,4-difluoro-1,2-di(propan-2-yl)cyclohexene?
The canonical SMILES for 4,4-difluoro-1,2-di(propan-2-yl)cyclohexene is CC(C)C1=C(C(C)C)CC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1,2-di(propan-2-yl)cyclohexene?
The InChIKey is UKYATOVEUAOYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2/c1-8(2)10-5-6-12(13,14)7-11(10)9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4,4-difluoro-1,2-di(propan-2-yl)cyclohexene?
4,4-difluoro-1,2-di(propan-2-yl)cyclohexene has a molecular weight of 202.29 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1,2-di(propan-2-yl)cyclohexene is sourced from PubChem (CID 70937746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).