3-ethyl-1,1-difluoro-5-methylcyclohexane

C9H16F2 — CID 121407308

IUPAC3-ethyl-1,1-difluoro-5-methylcyclohexane
SMILESCCC1CC(C)CC(F)(F)C1
InChIInChI=1S/C9H16F2/c1-3-8-4-7(2)5-9(10,11)6-8/h7-8H,3-6H2,1-2H3
InChIKeyHLFLKEHVTXXSPV-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.47
Rot. Bonds1

About 3-ethyl-1,1-difluoro-5-methylcyclohexane

3-ethyl-1,1-difluoro-5-methylcyclohexane (PubChem CID 121407308) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 3-ethyl-1,1-difluoro-5-methylcyclohexane.

Molecular Properties

Compound Name3-ethyl-1,1-difluoro-5-methylcyclohexane
PubChem CID121407308
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name3-ethyl-1,1-difluoro-5-methylcyclohexane
SMILESCCC1CC(C)CC(F)(F)C1
InChIInChI=1S/C9H16F2/c1-3-8-4-7(2)5-9(10,11)6-8/h7-8H,3-6H2,1-2H3
InChIKeyHLFLKEHVTXXSPV-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(1R,5S)-3,3-difluoro-5-methylcyclohexyl]methanamine
CID 125470651
3-ethyl-1,1-difluorocyclobutane
CID 67229999
3-ethyl-1,1-difluoro-5-(trifluoromethyl)cyclohexane
CID 121407311
N-[(3,3-difluorocyclobutyl)methyl]-3-methylcyclobutan-1-amine
CID 130635025
1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane
CID 130469055
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800
ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
1,1,3,3-tetrafluoro-5-methylcyclohexane
CID 148795454
5-ethyl-1,2,7-trimethylspiro[2.4]heptane
CID 123662454
1-ethyl-3-methylcyclopentane;methane
CID 144878558
ethane;7-ethyl-2-methylspiro[3.5]nonane
CID 144515680

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-difluoro-5-methylcyclohexane?
The IUPAC name of 3-ethyl-1,1-difluoro-5-methylcyclohexane (CID 121407308) is 3-ethyl-1,1-difluoro-5-methylcyclohexane.
What is the SMILES notation for 3-ethyl-1,1-difluoro-5-methylcyclohexane?
The canonical SMILES for 3-ethyl-1,1-difluoro-5-methylcyclohexane is CCC1CC(C)CC(F)(F)C1.
What is the InChIKey of 3-ethyl-1,1-difluoro-5-methylcyclohexane?
The InChIKey is HLFLKEHVTXXSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-3-8-4-7(2)5-9(10,11)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-1,1-difluoro-5-methylcyclohexane?
3-ethyl-1,1-difluoro-5-methylcyclohexane has a molecular weight of 162.22 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-difluoro-5-methylcyclohexane is sourced from PubChem (CID 121407308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).