7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene

C23H34F2O — CID 69236520

IUPAC7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene
SMILESCCCCCC1CCC(c2cc3c(c(F)c2F)OC(CCC)CC3)CC1
InChIInChI=1S/C23H34F2O/c1-3-5-6-8-16-9-11-17(12-10-16)20-15-18-13-14-19(7-4-2)26-23(18)22(25)21(20)24/h15-17,19H,3-14H2,1-2H3
InChIKeyOZMZHJBCVDLSPK-UHFFFAOYSA-N
MW364.52 g/mol
LogP7.31
Rot. Bonds7

About 7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene

7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene (PubChem CID 69236520) has the molecular formula C23H34F2O and a molecular weight of 364.52 g/mol. Its IUPAC name is 7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene
PubChem CID69236520
Molecular FormulaC23H34F2O
Molecular Weight364.52 g/mol
Exact Mass364.26
IUPAC Name7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene
SMILESCCCCCC1CCC(c2cc3c(c(F)c2F)OC(CCC)CC3)CC1
InChIInChI=1S/C23H34F2O/c1-3-5-6-8-16-9-11-17(12-10-16)20-15-18-13-14-19(7-4-2)26-23(18)22(25)21(20)24/h15-17,19H,3-14H2,1-2H3
InChIKeyOZMZHJBCVDLSPK-UHFFFAOYSA-N
XLogP7.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.52
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene
CID 59795280
7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
CID 59795335
7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 102471063
7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene
CID 71065591
2-[2-(4-ethylcyclohexyl)ethyl]-7,8-difluoro-6-(4-prop-1-enylcyclohexyl)-3,4-dihydro-2H-chromene
CID 72563900
2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
CID 59795492
6-ethoxy-3,4,5-trifluoro-2-(4-pentylcyclohexyl)-9H-xanthene
CID 118891126
7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
CID 11535833
7,8-difluoro-6-(6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139864729
1,2,3-trifluoro-5-[4-[3-(4-pentylcyclohexyl)propyl]cyclohexyl]benzene
CID 139725203
7,8-difluoro-2-hexyl-6-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865164
7,8-difluoro-2-methyl-6-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865959

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene?
The IUPAC name of 7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene (CID 69236520) is 7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene is CCCCCC1CCC(c2cc3c(c(F)c2F)OC(CCC)CC3)CC1.
What is the InChIKey of 7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene?
The InChIKey is OZMZHJBCVDLSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2O/c1-3-5-6-8-16-9-11-17(12-10-16)20-15-18-13-14-19(7-4-2)26-23(18)22(25)21(20)24/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene?
7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene has a molecular weight of 364.52 g/mol, XLogP of 7.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 69236520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).