(2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate

C15H18F2O2 — CID 139638411

IUPAC(2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate
SMILESCCC1CCC(C(=O)Oc2cccc(F)c2F)CC1
InChIInChI=1S/C15H18F2O2/c1-2-10-6-8-11(9-7-10)15(18)19-13-5-3-4-12(16)14(13)17/h3-5,10-11H,2,6-9H2,1H3
InChIKeyOUBGXJOVPXVFKX-UHFFFAOYSA-N
MW268.30 g/mol
LogP4.09
Rot. Bonds3

About (2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate

(2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate (PubChem CID 139638411) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is (2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate
PubChem CID139638411
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name(2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate
SMILESCCC1CCC(C(=O)Oc2cccc(F)c2F)CC1
InChIInChI=1S/C15H18F2O2/c1-2-10-6-8-11(9-7-10)15(18)19-13-5-3-4-12(16)14(13)17/h3-5,10-11H,2,6-9H2,1H3
InChIKeyOUBGXJOVPXVFKX-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,3-difluorophenyl) 4-(4-hydroxycyclohexyl)cyclohexane-1-carboxylate
CID 129138320
(4-ethoxy-2,3-difluorophenyl) 4-butylcyclohexane-1-carboxylate;(4-ethoxy-2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate
CID 158417917
phenyl 4-ethylcyclohexane-1-carboxylate
CID 53401345
[4-(4-decylcyclohexanecarbonyl)oxy-2,3-difluorophenyl] 4-decylcyclohexane-1-carboxylate
CID 19792982
[2,3-difluoro-4-(4-nonylcyclohexanecarbonyl)oxyphenyl] 4-nonylcyclohexane-1-carboxylate
CID 19793037
(2,6-difluoro-3-pyridinyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
CID 19765540
(2,4-difluorophenyl) 4-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexane-1-carboxylate
CID 139869213
(2,6-difluorophenyl) cyclopropanecarboxylate
CID 175366528
(3-fluoro-4-propoxyphenyl) 4-ethylcyclohexane-1-carboxylate
CID 23391187
ethane;phenyl 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
CID 90929650
(4-propanoyloxyphenyl) 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylate
CID 23334818
[3,5-difluoro-4-(trifluoromethyl)phenyl] 4-ethylcyclohexane-1-carboxylate
CID 54148519

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate?
The IUPAC name of (2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate (CID 139638411) is (2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate.
What is the SMILES notation for (2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate?
The canonical SMILES for (2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate is CCC1CCC(C(=O)Oc2cccc(F)c2F)CC1.
What is the InChIKey of (2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate?
The InChIKey is OUBGXJOVPXVFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2/c1-2-10-6-8-11(9-7-10)15(18)19-13-5-3-4-12(16)14(13)17/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of (2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate?
(2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate has a molecular weight of 268.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate is sourced from PubChem (CID 139638411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).