ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride

C10H18F2O2 — CID 143101970

IUPACethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride
SMILESCCOC(=O)C1CCC(C)(F)CC1.F
InChIInChI=1S/C10H17FO2.FH/c1-3-13-9(12)8-4-6-10(2,11)7-5-8;/h8H,3-7H2,1-2H3;1H
InChIKeyPRQGNQGTJNUTGN-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.62
Rot. Bonds2

About ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride

ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride (PubChem CID 143101970) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride.

Molecular Properties

Compound Nameethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride
PubChem CID143101970
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Nameethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride
SMILESCCOC(=O)C1CCC(C)(F)CC1.F
InChIInChI=1S/C10H17FO2.FH/c1-3-13-9(12)8-4-6-10(2,11)7-5-8;/h8H,3-7H2,1-2H3;1H
InChIKeyPRQGNQGTJNUTGN-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride?
The IUPAC name of ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride (CID 143101970) is ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride.
What is the SMILES notation for ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride?
The canonical SMILES for ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride is CCOC(=O)C1CCC(C)(F)CC1.F.
What is the InChIKey of ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride?
The InChIKey is PRQGNQGTJNUTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2.FH/c1-3-13-9(12)8-4-6-10(2,11)7-5-8;/h8H,3-7H2,1-2H3;1H.
What are the key properties of ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride?
ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride has a molecular weight of 208.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride is sourced from PubChem (CID 143101970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).