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

C24H27F3O — CID 58660633

IUPAC8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
SMILESCC1CCC(c2ccc(-c3cc(F)c4c(c3)CCC(CCF)O4)c(F)c2)CC1
InChIInChI=1S/C24H27F3O/c1-15-2-4-16(5-3-15)17-7-9-21(22(26)13-17)19-12-18-6-8-20(10-11-25)28-24(18)23(27)14-19/h7,9,12-16,20H,2-6,8,10-11H2,1H3
InChIKeyCNSJKVYSSWQFKP-UHFFFAOYSA-N
MW388.47 g/mol
LogP6.98
Rot. Bonds4

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

8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene (PubChem CID 58660633) has the molecular formula C24H27F3O and a molecular weight of 388.47 g/mol. Its IUPAC name is 8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
PubChem CID58660633
Molecular FormulaC24H27F3O
Molecular Weight388.47 g/mol
Exact Mass388.20
IUPAC Name8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
SMILESCC1CCC(c2ccc(-c3cc(F)c4c(c3)CCC(CCF)O4)c(F)c2)CC1
InChIInChI=1S/C24H27F3O/c1-15-2-4-16(5-3-15)17-7-9-21(22(26)13-17)19-12-18-6-8-20(10-11-25)28-24(18)23(27)14-19/h7,9,12-16,20H,2-6,8,10-11H2,1H3
InChIKeyCNSJKVYSSWQFKP-UHFFFAOYSA-N
XLogP6.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-3-(2-fluoroethyl)-7-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-1H-isochromene
CID 58660412
3-(2-fluoroethyl)-7-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-1H-isochromene
CID 58660670
2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen
CID 157087004
2,6-difluoro-4-[2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]aniline
CID 142540997
1,2-difluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 159316188
2-fluoro-1-[4-(10-fluorodecyl)cyclohexyl]-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 21265179
2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylphenyl)phenyl]benzene;methane;molecular hydrogen
CID 161261914
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383566
2-[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 162555866
4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexan-1-one
CID 18787931
8-fluoro-6-[2-fluoro-4-(4-pentylphenyl)phenyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 58660714

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene (CID 58660633) is 8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene is CC1CCC(c2ccc(-c3cc(F)c4c(c3)CCC(CCF)O4)c(F)c2)CC1.
What is the InChIKey of 8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene?
The InChIKey is CNSJKVYSSWQFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3O/c1-15-2-4-16(5-3-15)17-7-9-21(22(26)13-17)19-12-18-6-8-20(10-11-25)28-24(18)23(27)14-19/h7,9,12-16,20H,2-6,8,10-11H2,1H3.
What are the key properties of 8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene?
8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene has a molecular weight of 388.47 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(2-fluoroethyl)-6-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 58660633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).