[(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane

C11H18F2 — CID 166438808

IUPAC[(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane
SMILESCC(/C=C/C1CCCCC1)C(F)F
InChIInChI=1S/C11H18F2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h7-11H,2-6H2,1H3/b8-7+
InChIKeyMEMSJEDOIVKOKY-BQYQJAHWSA-N
MW188.26 g/mol
LogP4.02
Rot. Bonds3

About [(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane

[(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane (PubChem CID 166438808) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is [(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane.

Molecular Properties

Compound Name[(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane
PubChem CID166438808
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name[(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane
SMILESCC(/C=C/C1CCCCC1)C(F)F
InChIInChI=1S/C11H18F2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h7-11H,2-6H2,1H3/b8-7+
InChIKeyMEMSJEDOIVKOKY-BQYQJAHWSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 54.02
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

Cyclohexane, 1-propenyl-
CID 5358314
(2-Butenyl)cyclohexane
CID 6371346
Cyclohexene, 4-propyl-
CID 518777
Npc287882
CID 5364533
4-Ethenyl-1,1-difluorocyclohexane
CID 123987847
(E)-8-(trifluoromethyl)tetradec-6-ene
CID 101032788
(Prop-1-en-1-yl)cyclohexane
CID 316565
[(E)-3,3,3-Trifluoro-1-propenyl]cyclohexane
CID 10487552
(R)-2,6-Dimethyl-8,8-difluoro-2-octene
CID 101488936
4-Propan-2-yl-1-(trifluoromethyl)cyclohexene
CID 118030314
(E)-Pent-3-enylcyclohexane
CID 18689330
1-Cyclohexylheptene
CID 5364470

Frequently Asked Questions

What is the IUPAC name of [(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane?
The IUPAC name of [(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane (CID 166438808) is [(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane.
What is the SMILES notation for [(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane?
The canonical SMILES for [(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane is CC(/C=C/C1CCCCC1)C(F)F.
What is the InChIKey of [(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane?
The InChIKey is MEMSJEDOIVKOKY-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H18F2/c1-9(11(12)13)7-8-10-5-3-2-4-6-10/h7-11H,2-6H2,1H3/b8-7+.
What are the key properties of [(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane?
[(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane has a molecular weight of 188.26 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane is sourced from PubChem (CID 166438808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).