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

C14H18FNO — CID 79723336

IUPAC(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(F)cn2)CC1
InChIInChI=1S/C14H18FNO/c1-2-10-3-5-11(6-4-10)14(17)13-8-7-12(15)9-16-13/h7-11H,2-6H2,1H3
InChIKeyUKZYRCQXEMLLFQ-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.62
Rot. Bonds3

About (4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone

(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone (PubChem CID 79723336) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
PubChem CID79723336
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(F)cn2)CC1
InChIInChI=1S/C14H18FNO/c1-2-10-3-5-11(6-4-10)14(17)13-8-7-12(15)9-16-13/h7-11H,2-6H2,1H3
InChIKeyUKZYRCQXEMLLFQ-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
(2-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723801
(5-fluoro-2-pyridinyl)-(3-methylcyclohexyl)methanone
CID 79723805
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-(5-fluoro-2-pyridinyl)methanone
CID 171950495
N-(1-carbamothioyl-4-ethylcyclohexyl)-5-fluoropyridine-2-carboxamide
CID 104638557
3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125838
(4-ethylcyclohexyl)-pyrimidin-2-ylmethanone
CID 64774792
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-2-carboxamide
CID 104639321
1-(5-fluoro-2-pyridinyl)but-3-yn-1-one
CID 79722226
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
(5-amino-2-pyridinyl)-(4-methylcyclohexyl)methanone
CID 116605314
(4-ethylcyclohexyl)-(1,2-thiazol-5-yl)methanone
CID 130789671

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone (CID 79723336) is (4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone is CCC1CCC(C(=O)c2ccc(F)cn2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is UKZYRCQXEMLLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-10-3-5-11(6-4-10)14(17)13-8-7-12(15)9-16-13/h7-11H,2-6H2,1H3.
What are the key properties of (4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone?
(4-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 (4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 79723336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).