ethane;1-ethyl-1-(fluoromethyl)cyclohexane

C11H23F — CID 142943476

IUPACethane;1-ethyl-1-(fluoromethyl)cyclohexane
SMILESCC.CCC1(CF)CCCCC1
InChIInChI=1S/C9H17F.C2H6/c1-2-9(8-10)6-4-3-5-7-9;1-2/h2-8H2,1H3;1-2H3
InChIKeyBJCZKACHPVTPGV-UHFFFAOYSA-N
MW174.30 g/mol
LogP4.34
Rot. Bonds2

About ethane;1-ethyl-1-(fluoromethyl)cyclohexane

ethane;1-ethyl-1-(fluoromethyl)cyclohexane (PubChem CID 142943476) has the molecular formula C11H23F and a molecular weight of 174.30 g/mol. Its IUPAC name is ethane;1-ethyl-1-(fluoromethyl)cyclohexane.

Molecular Properties

Compound Nameethane;1-ethyl-1-(fluoromethyl)cyclohexane
PubChem CID142943476
Molecular FormulaC11H23F
Molecular Weight174.30 g/mol
Exact Mass174.18
IUPAC Nameethane;1-ethyl-1-(fluoromethyl)cyclohexane
SMILESCC.CCC1(CF)CCCCC1
InChIInChI=1S/C9H17F.C2H6/c1-2-9(8-10)6-4-3-5-7-9;1-2/h2-8H2,1H3;1-2H3
InChIKeyBJCZKACHPVTPGV-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.30
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-diethylcyclohexane;ethane
CID 142116480
1,1-bis(fluoromethyl)cyclohexane
CID 58341484
(1-ethylcycloheptyl)methanol
CID 56982411
(1-ethylcyclooctyl)methanamine
CID 80604065
[1-(fluoromethyl)cycloheptyl]methanol
CID 84764269
[1-(fluoromethyl)cyclopentyl]methanol
CID 84762340
2-(1-ethylcycloheptyl)ethanol
CID 164557788
1-tert-butyl-3-ethyl-3-(fluoromethyl)piperidine
CID 175425681
[1-(fluoromethyl)cyclopentyl]methanamine;hydrochloride
CID 105433644
1,1-diethylcyclopropane;ethane;propane
CID 162386463
2-(1-ethylcyclohexyl)-N,N-dimethylethanamine
CID 143122027
1,1-dipentylcyclononane
CID 169026027

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-1-(fluoromethyl)cyclohexane?
The IUPAC name of ethane;1-ethyl-1-(fluoromethyl)cyclohexane (CID 142943476) is ethane;1-ethyl-1-(fluoromethyl)cyclohexane.
What is the SMILES notation for ethane;1-ethyl-1-(fluoromethyl)cyclohexane?
The canonical SMILES for ethane;1-ethyl-1-(fluoromethyl)cyclohexane is CC.CCC1(CF)CCCCC1.
What is the InChIKey of ethane;1-ethyl-1-(fluoromethyl)cyclohexane?
The InChIKey is BJCZKACHPVTPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F.C2H6/c1-2-9(8-10)6-4-3-5-7-9;1-2/h2-8H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-1-(fluoromethyl)cyclohexane?
ethane;1-ethyl-1-(fluoromethyl)cyclohexane has a molecular weight of 174.30 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-1-(fluoromethyl)cyclohexane is sourced from PubChem (CID 142943476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).