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

C22H31F3O — CID 59795335

IUPAC7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(c2cc3c(c(F)c2C(F)F)OC(CCC)CC3)CC1
InChIInChI=1S/C22H31F3O/c1-3-5-14-7-9-15(10-8-14)18-13-16-11-12-17(6-4-2)26-21(16)20(23)19(18)22(24)25/h13-15,17,22H,3-12H2,1-2H3
InChIKeyUEGNOGPRFCZOGS-UHFFFAOYSA-N
MW368.48 g/mol
LogP7.33
Rot. Bonds6

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

7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene (PubChem CID 59795335) has the molecular formula C22H31F3O and a molecular weight of 368.48 g/mol. Its IUPAC name is 7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
PubChem CID59795335
Molecular FormulaC22H31F3O
Molecular Weight368.48 g/mol
Exact Mass368.23
IUPAC Name7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(c2cc3c(c(F)c2C(F)F)OC(CCC)CC3)CC1
InChIInChI=1S/C22H31F3O/c1-3-5-14-7-9-15(10-8-14)18-13-16-11-12-17(6-4-2)26-21(16)20(23)19(18)22(24)25/h13-15,17,22H,3-12H2,1-2H3
InChIKeyUEGNOGPRFCZOGS-UHFFFAOYSA-N
XLogP7.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(difluoromethyl)-6-(4-ethylcyclohexyl)-8-fluoro-2-propyl-3,4-dihydro-2H-chromene
CID 71065591
7,8-difluoro-6-(4-pentylcyclohexyl)-2-propyl-3,4-dihydro-2H-chromene
CID 69236520
2-ethyl-6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-7,8-difluoro-3,4-dihydro-2H-chromene
CID 59795280
2-[2-(4-ethylcyclohexyl)ethyl]-7,8-difluoro-6-(4-prop-1-enylcyclohexyl)-3,4-dihydro-2H-chromene
CID 72563900
7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
CID 59795102
2-[4-(4-ethylcyclohexyl)phenyl]-7,8-difluoro-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene
CID 59795492
7,8-difluoro-2-pentyl-6-[(4-pentylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 102471063
7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
CID 11535833
1-[2-[2-[4-[4-(4-ethylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]-7,8-difluoro-3,4-dihydro-2H-chromen-6-yl]ethanol
CID 71065539
2-ethyl-7,8-difluoro-6-[2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]ethenyl]-3,4-dihydro-2H-chromene
CID 72563908
6-(4-ethylcyclohexyl)-2-(4-propylcyclohexyl)-7,8-bis(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 59795337
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene (CID 59795335) is 7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene is CCCC1CCC(c2cc3c(c(F)c2C(F)F)OC(CCC)CC3)CC1.
What is the InChIKey of 7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene?
The InChIKey is UEGNOGPRFCZOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3O/c1-3-5-14-7-9-15(10-8-14)18-13-16-11-12-17(6-4-2)26-21(16)20(23)19(18)22(24)25/h13-15,17,22H,3-12H2,1-2H3.
What are the key properties of 7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene?
7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene has a molecular weight of 368.48 g/mol, XLogP of 7.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-8-fluoro-2-propyl-6-(4-propylcyclohexyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).