7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

C19H32F2O2 — CID 59745722

IUPAC7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCC1CCC(CCOC2CC3CCC(C)OC3C(F)C2F)CC1
InChIInChI=1S/C19H32F2O2/c1-12-3-6-14(7-4-12)9-10-22-16-11-15-8-5-13(2)23-19(15)18(21)17(16)20/h12-19H,3-11H2,1-2H3
InChIKeyMDDLZHAOCDWGDN-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.85
Rot. Bonds4

About 7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (PubChem CID 59745722) has the molecular formula C19H32F2O2 and a molecular weight of 330.46 g/mol. Its IUPAC name is 7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.

Molecular Properties

Compound Name7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
PubChem CID59745722
Molecular FormulaC19H32F2O2
Molecular Weight330.46 g/mol
Exact Mass330.24
IUPAC Name7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCC1CCC(CCOC2CC3CCC(C)OC3C(F)C2F)CC1
InChIInChI=1S/C19H32F2O2/c1-12-3-6-14(7-4-12)9-10-22-16-11-15-8-5-13(2)23-19(15)18(21)17(16)20/h12-19H,3-11H2,1-2H3
InChIKeyMDDLZHAOCDWGDN-UHFFFAOYSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4s,4Ar,7r,8ar)-4-fluoro-4,7-dimethyloctahydrospiro[chromene-2,1'-cyclohexane]
CID 154574031
2,2-Difluoro-3-methyl-6-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]oxane
CID 54416095
4,7-difluoro-3,8-dimethyl-2,3,4,4a,6,6a,7,8,9,10,10a,10b-dodecahydro-1H-benzo[c]chromene
CID 59745721
7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 59775464
2-[4-(3,5-Difluoro-4-methylcyclohexyl)cyclohexyl]-5-methyloxane
CID 68097551
7,8-difluoro-2-methyl-6-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 68358426
2-[4-[(3S)-3,5-difluoro-4-methylcyclohexyl]cyclohexyl]-5-methyloxane
CID 71160210
2-[4-[Difluoro-[4-(trifluoromethoxy)cyclohexyl]oxymethyl]cyclohexyl]-5-methyloxane
CID 71197130
6-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 89247479
5-fluoro-3,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 89259535
2-[4-[Difluoro-(3,4,5-trifluorocyclohexyl)oxymethyl]cyclohexyl]-5-propyloxane
CID 89331391
7,8-difluoro-2-methyl-6-(5-methyloctoxy)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 89757064

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The IUPAC name of 7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (CID 59745722) is 7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.
What is the SMILES notation for 7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The canonical SMILES for 7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is CC1CCC(CCOC2CC3CCC(C)OC3C(F)C2F)CC1.
What is the InChIKey of 7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The InChIKey is MDDLZHAOCDWGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2O2/c1-12-3-6-14(7-4-12)9-10-22-16-11-15-8-5-13(2)23-19(15)18(21)17(16)20/h12-19H,3-11H2,1-2H3.
What are the key properties of 7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene has a molecular weight of 330.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-methyl-6-[2-(4-methylcyclohexyl)ethoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is sourced from PubChem (CID 59745722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).