7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene

C24H35F3O — CID 143481797

IUPAC7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene
SMILESCCC(C)CCC(C)CC1CCC(c2ccc3c(c2F)OC(F)(F)CC3)CC1
InChIInChI=1S/C24H35F3O/c1-4-16(2)5-6-17(3)15-18-7-9-19(10-8-18)21-12-11-20-13-14-24(26,27)28-23(20)22(21)25/h11-12,16-19H,4-10,13-15H2,1-3H3
InChIKeyXGCFOCZBVZCMMW-UHFFFAOYSA-N
MW396.54 g/mol
LogP7.87
Rot. Bonds7

About 7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene

7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene (PubChem CID 143481797) has the molecular formula C24H35F3O and a molecular weight of 396.54 g/mol. Its IUPAC name is 7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene.

Molecular Properties

Compound Name7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene
PubChem CID143481797
Molecular FormulaC24H35F3O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene
SMILESCCC(C)CCC(C)CC1CCC(c2ccc3c(c2F)OC(F)(F)CC3)CC1
InChIInChI=1S/C24H35F3O/c1-4-16(2)5-6-17(3)15-18-7-9-19(10-8-18)21-12-11-20-13-14-24(26,27)28-23(20)22(21)25/h11-12,16-19H,4-10,13-15H2,1-3H3
InChIKeyXGCFOCZBVZCMMW-UHFFFAOYSA-N
XLogP7.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[4-[(E)-3,6-dimethyloct-1-enyl]cyclohexyl]-3,4,5-trifluoro-2-propyl-9H-xanthene
CID 144734074
2,2,8-trifluoro-6-(4-heptylcyclohexyl)-3,4-dihydrochromene
CID 58660410
2,3-difluoro-4-[4-(2-hydroxypropyl)cyclohexyl]phenol
CID 176902887
2,2-difluoro-8-methyl-3,4-dihydrochromene
CID 118474888
ethane;[(2S)-2-methylbutyl]cyclopropane;molecular hydrogen
CID 145112018
1,2,3-trifluoro-5-[4-(5-methylheptan-2-yl)cyclohexyl]benzene
CID 165378015
(6S)-2,6-dimethyloctane;ethane;1-fluoro-4-(4-propylcyclohexyl)benzene;dihydrate
CID 143524549
2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene
CID 58383271
ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane
CID 144507767
1-ethyl-4-[4-[4-(2-methylbutyl)cyclohexyl]phenyl]benzene
CID 20538959
4-[4-[4-(3,6-dimethyloctyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 144971677
1-[4-(2-methylbutyl)cyclohexyl]-4-(4-octylcyclohexyl)benzene
CID 20538355

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene?
The IUPAC name of 7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene (CID 143481797) is 7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene.
What is the SMILES notation for 7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene?
The canonical SMILES for 7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene is CCC(C)CCC(C)CC1CCC(c2ccc3c(c2F)OC(F)(F)CC3)CC1.
What is the InChIKey of 7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene?
The InChIKey is XGCFOCZBVZCMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3O/c1-4-16(2)5-6-17(3)15-18-7-9-19(10-8-18)21-12-11-20-13-14-24(26,27)28-23(20)22(21)25/h11-12,16-19H,4-10,13-15H2,1-3H3.
What are the key properties of 7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene?
7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene has a molecular weight of 396.54 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,5-dimethylheptyl)cyclohexyl]-2,2,8-trifluoro-3,4-dihydrochromene is sourced from PubChem (CID 143481797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).