1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane

C12H20F2O — CID 20705554

IUPAC1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane
SMILESC=CCCC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C12H20F2O/c1-3-4-5-10-6-8-11(9-7-10)12(13,14)15-2/h3,10-11H,1,4-9H2,2H3
InChIKeyANCQCAHRSWOAGB-UHFFFAOYSA-N
MW218.29 g/mol
LogP4.00
Rot. Bonds5

About 1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane

1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane (PubChem CID 20705554) has the molecular formula C12H20F2O and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane
PubChem CID20705554
Molecular FormulaC12H20F2O
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane
SMILESC=CCCC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C12H20F2O/c1-3-4-5-10-6-8-11(9-7-10)12(13,14)15-2/h3,10-11H,1,4-9H2,2H3
InChIKeyANCQCAHRSWOAGB-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-4-fluorobut-3-enyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19798821
1-[(E)-2-fluoroethenyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19798868
1-(2,2-Difluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19842791
2-(4-But-3-enylcyclohexyl)-5-(4,4-difluorobut-3-enyl)oxane
CID 20599732
1-(4-Ethenylcyclohexyl)-2,3-difluoro-4-methoxycyclohexane
CID 20645959
1-[Difluoro(methoxy)methyl]-4-ethenylcyclohexane
CID 20705631
1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane
CID 58719042
1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 59938739
1-(4-Fluorobut-3-enyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 67859159
1-(2-Fluoroethenyl)-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 67859286
1-[Difluoro(methoxy)methyl]-4-prop-1-enylcyclohexane
CID 72400498
1-[Difluoro(methoxy)methyl]-4-pent-3-enylcyclohexane
CID 72601078

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane?
The IUPAC name of 1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane (CID 20705554) is 1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane is C=CCCC1CCC(C(F)(F)OC)CC1.
What is the InChIKey of 1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane?
The InChIKey is ANCQCAHRSWOAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O/c1-3-4-5-10-6-8-11(9-7-10)12(13,14)15-2/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane?
1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane has a molecular weight of 218.29 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane is sourced from PubChem (CID 20705554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).