2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane

C20H33FO — CID 57091311

IUPAC2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCC(C3CC=C(F)CC3)OC2)CC1
InChIInChI=1S/C20H33FO/c1-2-3-15-4-6-16(7-5-15)18-10-13-20(22-14-18)17-8-11-19(21)12-9-17/h11,15-18,20H,2-10,12-14H2,1H3
InChIKeyGFYCWRVKWYXRCV-UHFFFAOYSA-N
MW308.48 g/mol
LogP6.04
Rot. Bonds4

About 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane

2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane (PubChem CID 57091311) has the molecular formula C20H33FO and a molecular weight of 308.48 g/mol. Its IUPAC name is 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane.

Molecular Properties

Compound Name2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane
PubChem CID57091311
Molecular FormulaC20H33FO
Molecular Weight308.48 g/mol
Exact Mass308.25
IUPAC Name2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane
SMILESCCCC1CCC(C2CCC(C3CC=C(F)CC3)OC2)CC1
InChIInChI=1S/C20H33FO/c1-2-3-15-4-6-16(7-5-15)18-10-13-20(22-14-18)17-8-11-19(21)12-9-17/h11,15-18,20H,2-10,12-14H2,1H3
InChIKeyGFYCWRVKWYXRCV-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.48
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19695215
1-[(E)-7-fluorohept-1-enyl]-4-[4-(4-methoxycyclohexyl)cyclohexyl]cyclohexane
CID 19695231
1-butoxy-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 19695245
1-[(E)-6-fluorohex-2-enyl]-4-[4-[4-(1-methoxyethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 19695252
1-[4-[(E)-5-fluorohept-1-enyl]cyclohexyl]-4-[4-(methoxymethyl)cyclohexyl]cyclohexane
CID 19695318
1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane
CID 19695327
1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
CID 19695360
4-[(E)-7-fluorohept-3-enyl]-1-[2-(4-methoxycyclohexyl)ethyl]cyclohexene
CID 19695409
1-[(E)-4-fluorobut-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
CID 19695441
1-[(E)-5-fluorohept-3-enyl]-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane
CID 19695469
1-ethoxy-4-[4-[(E)-7-fluorohept-4-enyl]cyclohexyl]cyclohexane
CID 19695478
2-(2,2-difluoroethenyl)-5-[4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]cyclohexyl]oxane
CID 20599464

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane?
The IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane (CID 57091311) is 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane.
What is the SMILES notation for 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane?
The canonical SMILES for 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane is CCCC1CCC(C2CCC(C3CC=C(F)CC3)OC2)CC1.
What is the InChIKey of 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane?
The InChIKey is GFYCWRVKWYXRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FO/c1-2-3-15-4-6-16(7-5-15)18-10-13-20(22-14-18)17-8-11-19(21)12-9-17/h11,15-18,20H,2-10,12-14H2,1H3.
What are the key properties of 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane?
2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane has a molecular weight of 308.48 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohex-3-en-1-yl)-5-(4-propylcyclohexyl)oxane is sourced from PubChem (CID 57091311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).