7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene

C21H29F3O — CID 71065591

IUPAC7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene
SMILESCCCC1CCc2cc(C3CCC(CC)CC3)c(C(F)F)c(F)c2O1
InChIInChI=1S/C21H29F3O/c1-3-5-16-11-10-15-12-17(14-8-6-13(4-2)7-9-14)18(21(23)24)19(22)20(15)25-16/h12-14,16,21H,3-11H2,1-2H3
InChIKeyDDYOUHWTWNYPRB-UHFFFAOYSA-N
MW354.46 g/mol
LogP6.94
Rot. Bonds5

About 7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene

7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene (PubChem CID 71065591) has the molecular formula C21H29F3O and a molecular weight of 354.46 g/mol. Its IUPAC name is 7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene
PubChem CID71065591
Molecular FormulaC21H29F3O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene
SMILESCCCC1CCc2cc(C3CCC(CC)CC3)c(C(F)F)c(F)c2O1
InChIInChI=1S/C21H29F3O/c1-3-5-16-11-10-15-12-17(14-8-6-13(4-2)7-9-14)18(21(23)24)19(22)20(15)25-16/h12-14,16,21H,3-11H2,1-2H3
InChIKeyDDYOUHWTWNYPRB-UHFFFAOYSA-N
XLogP6.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
CID 59795335
2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene
CID 59795280
7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene
CID 69236520
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
1-[2-[2-[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]-7,8-difluoro-3,4-dihydro-2H-chromen-6-yl]ethanol
CID 71065539
7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
CID 11535833
7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
CID 59795102
7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 102471063
6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 59795337
2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene
CID 72563908
3-(difluoromethyl)-1-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluoro-4-[(E)-2-(4-propylcyclohexyl)ethenyl]benzene
CID 58953303

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene?
The IUPAC name of 7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene (CID 71065591) is 7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene is CCCC1CCc2cc(C3CCC(CC)CC3)c(C(F)F)c(F)c2O1.
What is the InChIKey of 7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene?
The InChIKey is DDYOUHWTWNYPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3O/c1-3-5-16-11-10-15-12-17(14-8-6-13(4-2)7-9-14)18(21(23)24)19(22)20(15)25-16/h12-14,16,21H,3-11H2,1-2H3.
What are the key properties of 7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene?
7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene has a molecular weight of 354.46 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 71065591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).