7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene

C26H40F2O2 — CID 102471063

IUPAC7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
SMILESCCCCCC1CCC(COc2cc3c(c(F)c2F)OC(CCCCC)CC3)CC1
InChIInChI=1S/C26H40F2O2/c1-3-5-7-9-19-11-13-20(14-12-19)18-29-23-17-21-15-16-22(10-8-6-4-2)30-26(21)25(28)24(23)27/h17,19-20,22H,3-16,18H2,1-2H3
InChIKeyAMNDVMRXYXLQMW-UHFFFAOYSA-N
MW422.60 g/mol
LogP8.00
Rot. Bonds11

About 7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene

7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene (PubChem CID 102471063) has the molecular formula C26H40F2O2 and a molecular weight of 422.60 g/mol. Its IUPAC name is 7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
PubChem CID102471063
Molecular FormulaC26H40F2O2
Molecular Weight422.60 g/mol
Exact Mass422.30
IUPAC Name7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
SMILESCCCCCC1CCC(COc2cc3c(c(F)c2F)OC(CCCCC)CC3)CC1
InChIInChI=1S/C26H40F2O2/c1-3-5-7-9-19-11-13-20(14-12-19)18-29-23-17-21-15-16-22(10-8-6-4-2)30-26(21)25(28)24(23)27/h17,19-20,22H,3-16,18H2,1-2H3
InChIKeyAMNDVMRXYXLQMW-UHFFFAOYSA-N
XLogP8.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.60
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene
CID 69236520
7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 59795168
6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795181
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
6-[2-(4-ethenylcyclohexyl)oxyethoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
CID 59795268
1,2,4-trifluoro-5-[(4-pentylcyclohexyl)methoxy]benzene
CID 15250368
7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene
CID 90278325
2,3-difluoro-1-methoxy-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene
CID 19792983
1,2,8,9-tetrafluoro-3-pentoxy-7-[(4-propylcyclohexyl)methoxy]dibenzofuran
CID 140909283
7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
CID 59795335
2,3-difluoro-1,5-dimethyl-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene
CID 170215398
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 7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene?
The IUPAC name of 7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene (CID 102471063) is 7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene?
The canonical SMILES for 7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene is CCCCCC1CCC(COc2cc3c(c(F)c2F)OC(CCCCC)CC3)CC1.
What is the InChIKey of 7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene?
The InChIKey is AMNDVMRXYXLQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40F2O2/c1-3-5-7-9-19-11-13-20(14-12-19)18-29-23-17-21-15-16-22(10-8-6-4-2)30-26(21)25(28)24(23)27/h17,19-20,22H,3-16,18H2,1-2H3.
What are the key properties of 7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene?
7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene has a molecular weight of 422.60 g/mol, XLogP of 8.00, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 102471063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).