2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene

C18H22F4O — CID 18658510

IUPAC2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene
SMILESC=CCCCC1CCC(c2cc(F)c(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C18H22F4O/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-15(19)17(16(20)11-14)23-18(21)22/h2,10-13,18H,1,3-9H2
InChIKeySPFOQNBZHTXXJR-UHFFFAOYSA-N
MW330.37 g/mol
LogP6.20
Rot. Bonds7

About 2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene

2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene (PubChem CID 18658510) has the molecular formula C18H22F4O and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene
PubChem CID18658510
Molecular FormulaC18H22F4O
Molecular Weight330.37 g/mol
Exact Mass330.16
IUPAC Name2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene
SMILESC=CCCCC1CCC(c2cc(F)c(OC(F)F)c(F)c2)CC1
InChIInChI=1S/C18H22F4O/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-15(19)17(16(20)11-14)23-18(21)22/h2,10-13,18H,1,3-9H2
InChIKeySPFOQNBZHTXXJR-UHFFFAOYSA-N
XLogP6.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.37
LogP ≤ 56.20
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

2-(difluoromethoxy)-1,3-difluoro-5-[4-[2-[4-[(E)-hex-4-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 67589841
1,2,3-trifluoro-5-(4-pent-4-enylcyclohexyl)benzene
CID 54212260
2-(difluoromethoxy)-1,3-difluoro-5-[4-[4-[(E)-oct-5-enyl]cyclohexyl]cyclohexyl]benzene
CID 67589935
5-[4-[(E)-4-(4-butylcyclohexyl)but-3-enyl]cyclohexyl]-2-(difluoromethoxy)-1,3-difluorobenzene
CID 139629380
1,3-difluoro-5-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 54517135
2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-hex-3-enylcyclohexyl)cyclohexyl]benzene
CID 54282576
1-chloro-3-(difluoromethoxy)-2-fluoro-4-[4-[2-(4-pent-4-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 139947269
1,2-difluoro-4-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]benzene
CID 139724806
5-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 54414712
2-(4-butylcyclohexyl)-6-[4-(difluoromethoxy)-3,5-difluorophenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837418
2-(difluoromethoxy)-1,3-difluoro-5-(4-fluorocyclohexyl)benzene
CID 18344234
3-[4-(difluoromethoxy)-3,5-difluorophenyl]-9-pentyl-6-silaspiro[5.5]undecane
CID 139675571

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene?
The IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene (CID 18658510) is 2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene?
The canonical SMILES for 2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene is C=CCCCC1CCC(c2cc(F)c(OC(F)F)c(F)c2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene?
The InChIKey is SPFOQNBZHTXXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4O/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-15(19)17(16(20)11-14)23-18(21)22/h2,10-13,18H,1,3-9H2.
What are the key properties of 2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene?
2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene has a molecular weight of 330.37 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-difluoro-5-(4-pent-4-enylcyclohexyl)benzene is sourced from PubChem (CID 18658510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).