(4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate

C15H25FO2 — CID 21351042

IUPAC(4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate
SMILESCCC1CCC(C(=O)OC2CCC(F)CC2)CC1
InChIInChI=1S/C15H25FO2/c1-2-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16)8-10-14/h11-14H,2-10H2,1H3
InChIKeyMTXBNWGJVXYNBS-UHFFFAOYSA-N
MW256.36 g/mol
LogP4.03
Rot. Bonds3

About (4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate

(4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate (PubChem CID 21351042) has the molecular formula C15H25FO2 and a molecular weight of 256.36 g/mol. Its IUPAC name is (4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate
PubChem CID21351042
Molecular FormulaC15H25FO2
Molecular Weight256.36 g/mol
Exact Mass256.18
IUPAC Name(4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate
SMILESCCC1CCC(C(=O)OC2CCC(F)CC2)CC1
InChIInChI=1S/C15H25FO2/c1-2-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16)8-10-14/h11-14H,2-10H2,1H3
InChIKeyMTXBNWGJVXYNBS-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propylcyclohexyl (trans(trans(trans)))-4'-propyl(1,1'-bicyclohexyl)-4-carboxylate
CID 550127
Ethyl 2-(4-methylcyclohexyl)acetate
CID 10821367
Cyclohexanecarboxylic acid, 4-pentyl-, 4-propylcyclohexyl ester
CID 557716
4-Propylcyclohexyl (trans(trans(trans)))-4'-butyl(1,1'-bicyclohexyl)-4-carboxylate
CID 557581
trans-4-Trifluoromethylcyclohexyl trans-4-pentylcyclohexanecarboxylate
CID 14875956
4-Propylcyclohexyl (trans(trans(trans)))-4'-pentyl(1,1'-bicyclohexyl)-4-carboxylate
CID 20135153
4'-Propyl-bicyclohexyl-4-carboxylic acid 2,2,2-trifluoro-ethyl ester
CID 20614977
2cHCaA4OcH
CID 21351035
3cHCaAMeOcH
CID 21351044
3bcHCaA5cH
CID 71130126
5cHCaAFcH
CID 145818934
Cyclohexyl cyclohexanecarboxylate
CID 85137

Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate?
The IUPAC name of (4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate (CID 21351042) is (4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate.
What is the SMILES notation for (4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate?
The canonical SMILES for (4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate is CCC1CCC(C(=O)OC2CCC(F)CC2)CC1.
What is the InChIKey of (4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate?
The InChIKey is MTXBNWGJVXYNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FO2/c1-2-11-3-5-12(6-4-11)15(17)18-14-9-7-13(16)8-10-14/h11-14H,2-10H2,1H3.
What are the key properties of (4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate?
(4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate has a molecular weight of 256.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexyl) 4-ethylcyclohexane-1-carboxylate is sourced from PubChem (CID 21351042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).