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

C19H30F2O — CID 20600032

IUPAC5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane
SMILESC/C=C/C1CCC(C2CCC(CCCC=C(F)F)CC2)CO1
InChIInChI=1S/C19H30F2O/c1-2-5-18-13-12-17(14-22-18)16-10-8-15(9-11-16)6-3-4-7-19(20)21/h2,5,7,15-18H,3-4,6,8-14H2,1H3/b5-2+
InChIKeyFONKIGXDRCMLNW-GORDUTHDSA-N
MW312.44 g/mol
LogP6.11
Rot. Bonds6

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

5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane (PubChem CID 20600032) has the molecular formula C19H30F2O and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane.

Molecular Properties

Compound Name5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane
PubChem CID20600032
Molecular FormulaC19H30F2O
Molecular Weight312.44 g/mol
Exact Mass312.23
IUPAC Name5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane
SMILESC/C=C/C1CCC(C2CCC(CCCC=C(F)F)CC2)CO1
InChIInChI=1S/C19H30F2O/c1-2-5-18-13-12-17(14-22-18)16-10-8-15(9-11-16)6-3-4-7-19(20)21/h2,5,7,15-18H,3-4,6,8-14H2,1H3/b5-2+
InChIKeyFONKIGXDRCMLNW-GORDUTHDSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2r,4r,4Ar,7r,8ar)-4-fluro-4,7-dimethyl-2-((e)-prop-1-en-1-yl)octahydro-2h-chromene
CID 154573994
1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane
CID 19695327
3-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]-3-(trifluoromethoxy)cyclohexa-1,4-diene
CID 19695391
1-fluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]-6-(trifluoromethoxy)cyclohexa-1,4-diene
CID 19695394
2-(2,2-Difluoroethenyl)-5-[2-(4-pentylcyclohexyl)ethyl]oxane
CID 20599454
2-(2,2-Difluoroethenyl)-5-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]oxane
CID 20599461
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
2-(2,2-Difluoroethenyl)-5-[4-(4-propylcyclohexyl)butyl]oxane
CID 20599473
2-[(E)-2-[4-(2,2-difluoroethenyl)cyclohexyl]ethenyl]-5-propoxyoxane
CID 20599488
2-[(E)-2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]-5-pentyloxane
CID 20599491
2-[(E)-2-[4-(5,5-difluoropent-4-enyl)cyclohexyl]ethenyl]-5-[4-[(E)-prop-1-enyl]cyclohexyl]oxane
CID 20599526

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane?
The IUPAC name of 5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane (CID 20600032) is 5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane.
What is the SMILES notation for 5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane?
The canonical SMILES for 5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane is C/C=C/C1CCC(C2CCC(CCCC=C(F)F)CC2)CO1.
What is the InChIKey of 5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane?
The InChIKey is FONKIGXDRCMLNW-GORDUTHDSA-N. The full InChI is InChI=1S/C19H30F2O/c1-2-5-18-13-12-17(14-22-18)16-10-8-15(9-11-16)6-3-4-7-19(20)21/h2,5,7,15-18H,3-4,6,8-14H2,1H3/b5-2+.
What are the key properties of 5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane?
5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane has a molecular weight of 312.44 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5,5-difluoropent-4-enyl)cyclohexyl]-2-[(E)-prop-1-enyl]oxane is sourced from PubChem (CID 20600032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).