(1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone

C14H18FNO2 — CID 116748235

IUPAC(1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone
SMILESCCOC1(C(=O)c2cncc(F)c2)CCCCC1
InChIInChI=1S/C14H18FNO2/c1-2-18-14(6-4-3-5-7-14)13(17)11-8-12(15)10-16-9-11/h8-10H,2-7H2,1H3
InChIKeyOOFOTGIZOURTIR-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.14
Rot. Bonds4

About (1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone

(1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone (PubChem CID 116748235) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone
PubChem CID116748235
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone
SMILESCCOC1(C(=O)c2cncc(F)c2)CCCCC1
InChIInChI=1S/C14H18FNO2/c1-2-18-14(6-4-3-5-7-14)13(17)11-8-12(15)10-16-9-11/h8-10H,2-7H2,1H3
InChIKeyOOFOTGIZOURTIR-UHFFFAOYSA-N
XLogP3.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
CID 116747881
(1-ethoxycycloheptyl)-(4-fluoro-3-methylphenyl)methanone
CID 116750796
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
(4-ethoxyoxan-4-yl)-(5-ethoxy-3-pyridinyl)methanone
CID 116748926
(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
CID 116749881
(3,5-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanone
CID 116750038
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methanone
CID 116750841
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
(1-ethoxycycloheptyl)-(1-propylpyrazol-4-yl)methanone
CID 116750733

Frequently Asked Questions

What is the IUPAC name of (1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of (1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone (CID 116748235) is (1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone is CCOC1(C(=O)c2cncc(F)c2)CCCCC1.
What is the InChIKey of (1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is OOFOTGIZOURTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-18-14(6-4-3-5-7-14)13(17)11-8-12(15)10-16-9-11/h8-10H,2-7H2,1H3.
What are the key properties of (1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone?
(1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 251.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxycyclohexyl)-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 116748235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).