2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene

C25H29F3O — CID 58383271

IUPAC2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene
SMILESCCCC1CCC(c2ccc(C3Cc4ccc(C)c(F)c4OC3(F)F)cc2)CC1
InChIInChI=1S/C25H29F3O/c1-3-4-17-6-9-18(10-7-17)19-11-13-20(14-12-19)22-15-21-8-5-16(2)23(26)24(21)29-25(22,27)28/h5,8,11-14,17-18,22H,3-4,6-7,9-10,15H2,1-2H3
InChIKeyGAOLHEAOGIMZCT-UHFFFAOYSA-N
MW402.50 g/mol
LogP7.52
Rot. Bonds4

About 2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene

2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene (PubChem CID 58383271) has the molecular formula C25H29F3O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene.

Molecular Properties

Compound Name2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene
PubChem CID58383271
Molecular FormulaC25H29F3O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene
SMILESCCCC1CCC(c2ccc(C3Cc4ccc(C)c(F)c4OC3(F)F)cc2)CC1
InChIInChI=1S/C25H29F3O/c1-3-4-17-6-9-18(10-7-17)19-11-13-20(14-12-19)22-15-21-8-5-16(2)23(26)24(21)29-25(22,27)28/h5,8,11-14,17-18,22H,3-4,6-7,9-10,15H2,1-2H3
InChIKeyGAOLHEAOGIMZCT-UHFFFAOYSA-N
XLogP7.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydroisochromene
CID 58383239
3-[2-[4-(4-ethylphenyl)cyclohexyl]ethyl]-8-fluoro-7-methyl-3,4-dihydrochromen-2-one
CID 58383262
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
4,6,6-trifluoro-8-(4-heptylcyclohexyl)-3-methylbenzo[c]chromene
CID 141494273
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1-methyl-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]methyl]benzene
CID 58932728
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139850222

Frequently Asked Questions

What is the IUPAC name of 2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene?
The IUPAC name of 2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene (CID 58383271) is 2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene.
What is the SMILES notation for 2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene?
The canonical SMILES for 2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene is CCCC1CCC(c2ccc(C3Cc4ccc(C)c(F)c4OC3(F)F)cc2)CC1.
What is the InChIKey of 2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene?
The InChIKey is GAOLHEAOGIMZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3O/c1-3-4-17-6-9-18(10-7-17)19-11-13-20(14-12-19)22-15-21-8-5-16(2)23(26)24(21)29-25(22,27)28/h5,8,11-14,17-18,22H,3-4,6-7,9-10,15H2,1-2H3.
What are the key properties of 2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene?
2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene has a molecular weight of 402.50 g/mol, XLogP of 7.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8-trifluoro-7-methyl-3-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydrochromene is sourced from PubChem (CID 58383271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).