4-ethyl-1,1-difluoro-3-methoxycyclohexane

C9H16F2O — CID 58035083

IUPAC4-ethyl-1,1-difluoro-3-methoxycyclohexane
SMILESCCC1CCC(F)(F)CC1OC
InChIInChI=1S/C9H16F2O/c1-3-7-4-5-9(10,11)6-8(7)12-2/h7-8H,3-6H2,1-2H3
InChIKeyIQCKZBINGAQENI-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.85
Rot. Bonds2

About 4-ethyl-1,1-difluoro-3-methoxycyclohexane

4-ethyl-1,1-difluoro-3-methoxycyclohexane (PubChem CID 58035083) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 4-ethyl-1,1-difluoro-3-methoxycyclohexane.

Molecular Properties

Compound Name4-ethyl-1,1-difluoro-3-methoxycyclohexane
PubChem CID58035083
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name4-ethyl-1,1-difluoro-3-methoxycyclohexane
SMILESCCC1CCC(F)(F)CC1OC
InChIInChI=1S/C9H16F2O/c1-3-7-4-5-9(10,11)6-8(7)12-2/h7-8H,3-6H2,1-2H3
InChIKeyIQCKZBINGAQENI-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
1-Methoxy-2-methylcyclohexane
CID 12546406
Cyclohexane, (1-methoxyethyl)-
CID 106834
cis1Methoxy 2methyl cyclohexane
CID 11137184
3-[Chloro(difluoro)methoxy]propylcyclohexane
CID 101863779
(2-Tert-butylperoxy-4,4,4-trifluorobutyl)cyclohexane
CID 154711309
Cyclohexyl-ather
CID 59678177
2-Methylcyclohexyl butyl ether
CID 77401032
3-(2,2,2-Trifluoroethoxy)propylcyclohexane
CID 121221077
1-(2-Fluoroethyl)-4-methoxycyclohexane
CID 18343975
1-(2-Fluoroethyl)-4-pentoxycyclohexane
CID 18343980
1-(2-Fluoroethyl)-4-propoxycyclohexane
CID 18343982

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1-difluoro-3-methoxycyclohexane?
The IUPAC name of 4-ethyl-1,1-difluoro-3-methoxycyclohexane (CID 58035083) is 4-ethyl-1,1-difluoro-3-methoxycyclohexane.
What is the SMILES notation for 4-ethyl-1,1-difluoro-3-methoxycyclohexane?
The canonical SMILES for 4-ethyl-1,1-difluoro-3-methoxycyclohexane is CCC1CCC(F)(F)CC1OC.
What is the InChIKey of 4-ethyl-1,1-difluoro-3-methoxycyclohexane?
The InChIKey is IQCKZBINGAQENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-3-7-4-5-9(10,11)6-8(7)12-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-1,1-difluoro-3-methoxycyclohexane?
4-ethyl-1,1-difluoro-3-methoxycyclohexane has a molecular weight of 178.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1-difluoro-3-methoxycyclohexane is sourced from PubChem (CID 58035083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).