1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene

C16H27FO — CID 21337849

IUPAC1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene
SMILESCC1CCC(CCC2CC=C(OCF)CC2)CC1
InChIInChI=1S/C16H27FO/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)18-12-17/h10,13-15H,2-9,11-12H2,1H3
InChIKeyZTMHLLRILOZRPR-UHFFFAOYSA-N
MW254.39 g/mol
LogP5.22
Rot. Bonds5

About 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene

1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene (PubChem CID 21337849) has the molecular formula C16H27FO and a molecular weight of 254.39 g/mol. Its IUPAC name is 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene.

Molecular Properties

Compound Name1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene
PubChem CID21337849
Molecular FormulaC16H27FO
Molecular Weight254.39 g/mol
Exact Mass254.20
IUPAC Name1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene
SMILESCC1CCC(CCC2CC=C(OCF)CC2)CC1
InChIInChI=1S/C16H27FO/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)18-12-17/h10,13-15H,2-9,11-12H2,1H3
InChIKeyZTMHLLRILOZRPR-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-8-Methoxy-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 145369
1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
CID 19695360
1-(Fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexene
CID 21337851
6-fluoro-5-methyl-2-[2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]ethyl]-3,4-dihydro-2H-pyran
CID 53773161
6-fluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-3,4-dihydro-2H-pyran
CID 53965426
6-fluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-3,4-dihydro-2H-pyran
CID 54020045
6-fluoro-5-methyl-2-[4-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]cyclohexyl]-3,4-dihydro-2H-pyran
CID 54168615
6-fluoro-5-methyl-2-[4-[2-(4-methylcyclohex-3-en-1-yl)ethyl]cyclohexyl]-3,4-dihydro-2H-pyran
CID 54431036
2-(4-Fluorocyclohex-3-en-1-yl)-5-pentyloxane
CID 57249230
1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(2-methoxyethyl)cyclohexyl]ethyl]cyclohexane
CID 67588977
1-(6-Fluorohex-3-enyl)-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
CID 67588978
1-ethoxy-5,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexa-1,3-diene
CID 71018135

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene?
The IUPAC name of 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene (CID 21337849) is 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene.
What is the SMILES notation for 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene?
The canonical SMILES for 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene is CC1CCC(CCC2CC=C(OCF)CC2)CC1.
What is the InChIKey of 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene?
The InChIKey is ZTMHLLRILOZRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FO/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)18-12-17/h10,13-15H,2-9,11-12H2,1H3.
What are the key properties of 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene?
1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene has a molecular weight of 254.39 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-4-[2-(4-methylcyclohexyl)ethyl]cyclohexene is sourced from PubChem (CID 21337849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).