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

C18H30F2O2 — CID 59775464

IUPAC7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCC1CCC(COC2CC3CCC(C)OC3C(F)C2F)CC1
InChIInChI=1S/C18H30F2O2/c1-11-3-6-13(7-4-11)10-21-15-9-14-8-5-12(2)22-18(14)17(20)16(15)19/h11-18H,3-10H2,1-2H3
InChIKeyAZMCPTDBMFQQTG-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.46
Rot. Bonds3

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

7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (PubChem CID 59775464) has the molecular formula C18H30F2O2 and a molecular weight of 316.43 g/mol. Its IUPAC name is 7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.

Molecular Properties

Compound Name7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
PubChem CID59775464
Molecular FormulaC18H30F2O2
Molecular Weight316.43 g/mol
Exact Mass316.22
IUPAC Name7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCC1CCC(COC2CC3CCC(C)OC3C(F)C2F)CC1
InChIInChI=1S/C18H30F2O2/c1-11-3-6-13(7-4-11)10-21-15-9-14-8-5-12(2)22-18(14)17(20)16(15)19/h11-18H,3-10H2,1-2H3
InChIKeyAZMCPTDBMFQQTG-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The IUPAC name of 7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (CID 59775464) is 7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.
What is the SMILES notation for 7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The canonical SMILES for 7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is CC1CCC(COC2CC3CCC(C)OC3C(F)C2F)CC1.
What is the InChIKey of 7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The InChIKey is AZMCPTDBMFQQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2O2/c1-11-3-6-13(7-4-11)10-21-15-9-14-8-5-12(2)22-18(14)17(20)16(15)19/h11-18H,3-10H2,1-2H3.
What are the key properties of 7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
7,8-difluoro-2-methyl-6-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene has a molecular weight of 316.43 g/mol, XLogP of 4.46, 3 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-[(4-methylcyclohexyl)methoxy]-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is sourced from PubChem (CID 59775464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).