8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene

C21H31FO — CID 71065600

IUPAC8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene
SMILESCC1CCC(CCCCc2cc(F)c3c(c2)CCC(C)O3)CC1
InChIInChI=1S/C21H31FO/c1-15-7-10-17(11-8-15)5-3-4-6-18-13-19-12-9-16(2)23-21(19)20(22)14-18/h13-17H,3-12H2,1-2H3
InChIKeyAOPLXADGACQDHF-UHFFFAOYSA-N
MW318.48 g/mol
LogP6.08
Rot. Bonds5

About 8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene

8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene (PubChem CID 71065600) has the molecular formula C21H31FO and a molecular weight of 318.48 g/mol. Its IUPAC name is 8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene
PubChem CID71065600
Molecular FormulaC21H31FO
Molecular Weight318.48 g/mol
Exact Mass318.24
IUPAC Name8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene
SMILESCC1CCC(CCCCc2cc(F)c3c(c2)CCC(C)O3)CC1
InChIInChI=1S/C21H31FO/c1-15-7-10-17(11-8-15)5-3-4-6-18-13-19-12-9-16(2)23-21(19)20(22)14-18/h13-17H,3-12H2,1-2H3
InChIKeyAOPLXADGACQDHF-UHFFFAOYSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.48
LogP ≤ 56.08
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

6-butyl-2-[4-(3,3-difluoropropyl)cyclohexyl]-8-fluoro-3,4-dihydro-2H-chromene
CID 58660755
1-fluoro-3-[4-(4-methylcyclohexyl)butyl]benzene
CID 54167085
8-fluoro-6-[4-[3-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethyl]phenyl]phenyl]-2-methyl-3,4-dihydro-2H-chromene
CID 59794974
1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene
CID 21136635
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]butyl]benzene
CID 20654014
1,3-difluoro-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-2-(trifluoromethyl)benzene
CID 20654364
1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]-2-[(E)-prop-1-enyl]benzene
CID 89134725
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 20653978
1,2-dimethoxy-4-[4-(4-methylcyclohexyl)butyl]benzene
CID 59545688
2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[2-(4-methylcyclohexyl)ethyl]benzene
CID 21136716
2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139849248
5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene
CID 22446764

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene (CID 71065600) is 8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene is CC1CCC(CCCCc2cc(F)c3c(c2)CCC(C)O3)CC1.
What is the InChIKey of 8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene?
The InChIKey is AOPLXADGACQDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FO/c1-15-7-10-17(11-8-15)5-3-4-6-18-13-19-12-9-16(2)23-21(19)20(22)14-18/h13-17H,3-12H2,1-2H3.
What are the key properties of 8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene?
8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene has a molecular weight of 318.48 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-6-[4-(4-methylcyclohexyl)butyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 71065600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).