6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene

C22H30F2O3 — CID 59795268

IUPAC6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
SMILESC=CC1CCC(OCCOc2cc3c(c(F)c2F)OC(CCC)CC3)CC1
InChIInChI=1S/C22H30F2O3/c1-3-5-18-11-8-16-14-19(20(23)21(24)22(16)27-18)26-13-12-25-17-9-6-15(4-2)7-10-17/h4,14-15,17-18H,2-3,5-13H2,1H3
InChIKeyUCTMZWATGPYBHZ-UHFFFAOYSA-N
MW380.48 g/mol
LogP5.60
Rot. Bonds8

About 6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene

6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene (PubChem CID 59795268) has the molecular formula C22H30F2O3 and a molecular weight of 380.48 g/mol. Its IUPAC name is 6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
PubChem CID59795268
Molecular FormulaC22H30F2O3
Molecular Weight380.48 g/mol
Exact Mass380.22
IUPAC Name6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
SMILESC=CC1CCC(OCCOc2cc3c(c(F)c2F)OC(CCC)CC3)CC1
InChIInChI=1S/C22H30F2O3/c1-3-5-18-11-8-16-14-19(20(23)21(24)22(16)27-18)26-13-12-25-17-9-6-15(4-2)7-10-17/h4,14-15,17-18H,2-3,5-13H2,1H3
InChIKeyUCTMZWATGPYBHZ-UHFFFAOYSA-N
XLogP5.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 102471063
6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795181
7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
CID 11535833
1-butoxy-4-[2-(4-ethenylcyclohexyl)ethyl]-2,3-difluoro-5-methylbenzene
CID 59592372
7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 59795168
7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene
CID 69236520
2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene
CID 72563908
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
CID 20621743
6-ethoxy-7,8-difluoro-2-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-3,4-dihydro-2H-chromene
CID 59795281
7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene
CID 90278325
7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
CID 59795335
7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene
CID 71065591

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene (CID 59795268) is 6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene is C=CC1CCC(OCCOc2cc3c(c(F)c2F)OC(CCC)CC3)CC1.
What is the InChIKey of 6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene?
The InChIKey is UCTMZWATGPYBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F2O3/c1-3-5-18-11-8-16-14-19(20(23)21(24)22(16)27-18)26-13-12-25-17-9-6-15(4-2)7-10-17/h4,14-15,17-18H,2-3,5-13H2,1H3.
What are the key properties of 6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene?
6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene has a molecular weight of 380.48 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).