(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone

C14H18FNO — CID 79723801

IUPAC(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
SMILESCCC1CCCCC1C(=O)c1ccc(F)cn1
InChIInChI=1S/C14H18FNO/c1-2-10-5-3-4-6-12(10)14(17)13-8-7-11(15)9-16-13/h7-10,12H,2-6H2,1H3
InChIKeyIWKPFADTCGCEQV-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.62
Rot. Bonds3

About (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone

(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone (PubChem CID 79723801) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
PubChem CID79723801
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
SMILESCCC1CCCCC1C(=O)c1ccc(F)cn1
InChIInChI=1S/C14H18FNO/c1-2-10-5-3-4-6-12(10)14(17)13-8-7-11(15)9-16-13/h7-10,12H,2-6H2,1H3
InChIKeyIWKPFADTCGCEQV-UHFFFAOYSA-N
XLogP3.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cycloheptyl-(5-fluoro-2-pyridinyl)methanone
CID 82931790
(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723336
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722319
N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide
CID 104643161
(5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone
CID 79723805
N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639305
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-(5-fluoro-2-pyridinyl)methanone
CID 171950495
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834
5-[(2-ethylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 115490737
5-(18F)fluoropyridine-2-carboxamide
CID 11607925
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 83120123

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone (CID 79723801) is (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone is CCC1CCCCC1C(=O)c1ccc(F)cn1.
What is the InChIKey of (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is IWKPFADTCGCEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-10-5-3-4-6-12(10)14(17)13-8-7-11(15)9-16-13/h7-10,12H,2-6H2,1H3.
What are the key properties of (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone?
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 235.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 79723801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).