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

C13H22F2O — CID 59938739

IUPAC1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane
SMILESC/C=C/CCC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C13H22F2O/c1-3-4-5-6-11-7-9-12(10-8-11)13(14,15)16-2/h3-4,11-12H,5-10H2,1-2H3/b4-3+
InChIKeyYODAREXHOGHKBP-ONEGZZNKSA-N
MW232.31 g/mol
LogP4.39
Rot. Bonds5

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

1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane (PubChem CID 59938739) has the molecular formula C13H22F2O and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane
PubChem CID59938739
Molecular FormulaC13H22F2O
Molecular Weight232.31 g/mol
Exact Mass232.16
IUPAC Name1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane
SMILESC/C=C/CCC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C13H22F2O/c1-3-4-5-6-11-7-9-12(10-8-11)13(14,15)16-2/h3-4,11-12H,5-10H2,1-2H3/b4-3+
InChIKeyYODAREXHOGHKBP-ONEGZZNKSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane (CID 59938739) is 1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane is C/C=C/CCC1CCC(C(F)(F)OC)CC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane?
The InChIKey is YODAREXHOGHKBP-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H22F2O/c1-3-4-5-6-11-7-9-12(10-8-11)13(14,15)16-2/h3-4,11-12H,5-10H2,1-2H3/b4-3+.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane?
1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane has a molecular weight of 232.31 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane is sourced from PubChem (CID 59938739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).