(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone

C15H19F2NO2 — CID 105124282

IUPAC(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)C2CCC(F)(F)CC2)c1
InChIInChI=1S/C15H19F2NO2/c1-2-7-20-13-8-12(9-18-10-13)14(19)11-3-5-15(16,17)6-4-11/h8-11H,2-7H2,1H3
InChIKeyJAXFNNIXOAHJSK-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.88
Rot. Bonds5

About (4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone

(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone (PubChem CID 105124282) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone
PubChem CID105124282
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)C2CCC(F)(F)CC2)c1
InChIInChI=1S/C15H19F2NO2/c1-2-7-20-13-8-12(9-18-10-13)14(19)11-3-5-15(16,17)6-4-11/h8-11H,2-7H2,1H3
InChIKeyJAXFNNIXOAHJSK-UHFFFAOYSA-N
XLogP3.88
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone
CID 116547773
(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
CID 116747881
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
CID 116709111
2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116591204
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116680587
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116566359
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
CID 106677594
5-butoxypyridine-3-carboxylic acid
CID 63851154

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone (CID 105124282) is (4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)C2CCC(F)(F)CC2)c1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is JAXFNNIXOAHJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-7-20-13-8-12(9-18-10-13)14(19)11-3-5-15(16,17)6-4-11/h8-11H,2-7H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone?
(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 283.32 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 105124282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).