1-(difluoromethoxy)-4-methylcyclohexane;ethane

C10H20F2O — CID 142353854

IUPAC1-(difluoromethoxy)-4-methylcyclohexane;ethane
SMILESCC.CC1CCC(OC(F)F)CC1
InChIInChI=1S/C8H14F2O.C2H6/c1-6-2-4-7(5-3-6)11-8(9)10;1-2/h6-8H,2-5H2,1H3;1-2H3
InChIKeyWRJAMIVLNBBSPZ-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.83
Rot. Bonds2

About 1-(difluoromethoxy)-4-methylcyclohexane;ethane

1-(difluoromethoxy)-4-methylcyclohexane;ethane (PubChem CID 142353854) has the molecular formula C10H20F2O and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-methylcyclohexane;ethane.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-methylcyclohexane;ethane
PubChem CID142353854
Molecular FormulaC10H20F2O
Molecular Weight194.26 g/mol
Exact Mass194.15
IUPAC Name1-(difluoromethoxy)-4-methylcyclohexane;ethane
SMILESCC.CC1CCC(OC(F)F)CC1
InChIInChI=1S/C8H14F2O.C2H6/c1-6-2-4-7(5-3-6)11-8(9)10;1-2/h6-8H,2-5H2,1H3;1-2H3
InChIKeyWRJAMIVLNBBSPZ-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)-4-methylcyclohexane;ethene
CID 158991402
1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane
CID 89381859
ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate
CID 79356559
4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine
CID 160735997
3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine
CID 43752921
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine
CID 124594476
ethane;methylcyclopropane
CID 158329065
ethane;1-ethoxy-4-methylcyclohexane
CID 145107105
O-(4-methylcyclohexyl)hydroxylamine
CID 22057712
4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol
CID 145131579
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-methylcyclohexane;ethane?
The IUPAC name of 1-(difluoromethoxy)-4-methylcyclohexane;ethane (CID 142353854) is 1-(difluoromethoxy)-4-methylcyclohexane;ethane.
What is the SMILES notation for 1-(difluoromethoxy)-4-methylcyclohexane;ethane?
The canonical SMILES for 1-(difluoromethoxy)-4-methylcyclohexane;ethane is CC.CC1CCC(OC(F)F)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-methylcyclohexane;ethane?
The InChIKey is WRJAMIVLNBBSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O.C2H6/c1-6-2-4-7(5-3-6)11-8(9)10;1-2/h6-8H,2-5H2,1H3;1-2H3.
What are the key properties of 1-(difluoromethoxy)-4-methylcyclohexane;ethane?
1-(difluoromethoxy)-4-methylcyclohexane;ethane has a molecular weight of 194.26 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-methylcyclohexane;ethane is sourced from PubChem (CID 142353854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).