2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene

C27H41FO2 — CID 58660586

IUPAC2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(C2CCC(COc3ccc4c(c3)CCC(CCF)O4)CC2)CC1
InChIInChI=1S/C27H41FO2/c1-2-3-20-4-8-22(9-5-20)23-10-6-21(7-11-23)19-29-26-14-15-27-24(18-26)12-13-25(30-27)16-17-28/h14-15,18,20-23,25H,2-13,16-17,19H2,1H3
InChIKeyNTORSQLQQADGQI-UHFFFAOYSA-N
MW416.62 g/mol
LogP7.53
Rot. Bonds8

About 2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene

2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene (PubChem CID 58660586) has the molecular formula C27H41FO2 and a molecular weight of 416.62 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene
PubChem CID58660586
Molecular FormulaC27H41FO2
Molecular Weight416.62 g/mol
Exact Mass416.31
IUPAC Name2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene
SMILESCCCC1CCC(C2CCC(COc3ccc4c(c3)CCC(CCF)O4)CC2)CC1
InChIInChI=1S/C27H41FO2/c1-2-3-20-4-8-22(9-5-20)23-10-6-21(7-11-23)19-29-26-14-15-27-24(18-26)12-13-25(30-27)16-17-28/h14-15,18,20-23,25H,2-13,16-17,19H2,1H3
InChIKeyNTORSQLQQADGQI-UHFFFAOYSA-N
XLogP7.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.62
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene with MolForge

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Related Compounds

2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid
CID 59079892
6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene
CID 59795416
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
5-(methoxymethyl)-3-(2-propyl-3,4-dihydro-2H-chromen-6-yl)-1,3-oxazolidin-2-one
CID 67581639
7,8-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-6-[(4-propylcyclohexyl)methoxy]-3,4-dihydro-2H-chromene
CID 59795168
6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848082
6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile
CID 23465055
N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide
CID 18177456
6-methoxy-7-methyl-2-propyl-3,4-dihydro-2H-chromene
CID 139973361
6-ethoxy-7,8-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-3,4-dihydro-2H-chromene
CID 59795181
(3,4,5-trifluorophenyl) 4-[[4-(4-butylcyclohexyl)cyclohexyl]methoxy]benzoate
CID 54207754

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene (CID 58660586) is 2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene is CCCC1CCC(C2CCC(COc3ccc4c(c3)CCC(CCF)O4)CC2)CC1.
What is the InChIKey of 2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene?
The InChIKey is NTORSQLQQADGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41FO2/c1-2-3-20-4-8-22(9-5-20)23-10-6-21(7-11-23)19-29-26-14-15-27-24(18-26)12-13-25(30-27)16-17-28/h14-15,18,20-23,25H,2-13,16-17,19H2,1H3.
What are the key properties of 2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene?
2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene has a molecular weight of 416.62 g/mol, XLogP of 7.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 58660586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).