5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane

C24H38F2O — CID 20599858

IUPAC5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane
SMILESC/C=C/C1CCC(C2CCC(CCC3CCC(C=C(F)F)CO3)CC2)CC1
InChIInChI=1S/C24H38F2O/c1-2-3-18-4-10-21(11-5-18)22-12-6-19(7-13-22)8-14-23-15-9-20(17-27-23)16-24(25)26/h2-3,16,18-23H,4-15,17H2,1H3/b3-2+
InChIKeyYZHHSKIZRMFEEW-NSCUHMNNSA-N
MW380.56 g/mol
LogP7.53
Rot. Bonds6

About 5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane

5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane (PubChem CID 20599858) has the molecular formula C24H38F2O and a molecular weight of 380.56 g/mol. Its IUPAC name is 5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane.

Molecular Properties

Compound Name5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane
PubChem CID20599858
Molecular FormulaC24H38F2O
Molecular Weight380.56 g/mol
Exact Mass380.29
IUPAC Name5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane
SMILESC/C=C/C1CCC(C2CCC(CCC3CCC(C=C(F)F)CO3)CC2)CC1
InChIInChI=1S/C24H38F2O/c1-2-3-18-4-10-21(11-5-18)22-12-6-19(7-13-22)8-14-23-15-9-20(17-27-23)16-24(25)26/h2-3,16,18-23H,4-15,17H2,1H3/b3-2+
InChIKeyYZHHSKIZRMFEEW-NSCUHMNNSA-N
XLogP7.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.56
LogP ≤ 57.53
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-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
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
2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane
CID 20599472

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane?
The IUPAC name of 5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane (CID 20599858) is 5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane.
What is the SMILES notation for 5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane?
The canonical SMILES for 5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane is C/C=C/C1CCC(C2CCC(CCC3CCC(C=C(F)F)CO3)CC2)CC1.
What is the InChIKey of 5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane?
The InChIKey is YZHHSKIZRMFEEW-NSCUHMNNSA-N. The full InChI is InChI=1S/C24H38F2O/c1-2-3-18-4-10-21(11-5-18)22-12-6-19(7-13-22)8-14-23-15-9-20(17-27-23)16-24(25)26/h2-3,16,18-23H,4-15,17H2,1H3/b3-2+.
What are the key properties of 5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane?
5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane has a molecular weight of 380.56 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethenyl)-2-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]oxane is sourced from PubChem (CID 20599858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).