1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene

C11H16F2O — CID 59938786

IUPAC1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene
SMILESC/C=C/C1CC=C(C(F)(F)OC)CC1
InChIInChI=1S/C11H16F2O/c1-3-4-9-5-7-10(8-6-9)11(12,13)14-2/h3-4,7,9H,5-6,8H2,1-2H3/b4-3+
InChIKeyUHZXKTWBFQNUIY-ONEGZZNKSA-N
MW202.24 g/mol
LogP3.53
Rot. Bonds3

About 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene

1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene (PubChem CID 59938786) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene
PubChem CID59938786
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene
SMILESC/C=C/C1CC=C(C(F)(F)OC)CC1
InChIInChI=1S/C11H16F2O/c1-3-4-9-5-7-10(8-6-9)11(12,13)14-2/h3-4,7,9H,5-6,8H2,1-2H3/b4-3+
InChIKeyUHZXKTWBFQNUIY-ONEGZZNKSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 53.53
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-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane
CID 58719042
1-[Difluoro(methoxy)methyl]-2-fluoro-4-methylcyclohexene
CID 59938734
1-[Difluoro(methoxy)methyl]-4-methylcyclohexene
CID 59938735
1-[Difluoro(methoxy)methyl]-4-propylcyclohexene
CID 59938736
1-[Difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene
CID 59938737
1-[Difluoro(methoxy)methyl]-2-fluoro-4-pentylcyclohexene
CID 59938743
1-[Difluoro(methoxy)methyl]-4-ethenylcyclohexene
CID 59938757
4-But-3-enyl-1-[difluoro(methoxy)methyl]-2-fluorocyclohexene
CID 59938789
1-[Difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene
CID 59938796
1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene
CID 59938823
5-Fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexene
CID 68340692
1-[Difluoro(methoxy)methyl]-4-prop-1-enylcyclohexane
CID 72400498

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene (CID 59938786) is 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene is C/C=C/C1CC=C(C(F)(F)OC)CC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene?
The InChIKey is UHZXKTWBFQNUIY-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H16F2O/c1-3-4-9-5-7-10(8-6-9)11(12,13)14-2/h3-4,7,9H,5-6,8H2,1-2H3/b4-3+.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene?
1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene has a molecular weight of 202.24 g/mol, XLogP of 3.53, 3 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)-prop-1-enyl]cyclohexene is sourced from PubChem (CID 59938786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).