1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one

C14H16F2O2 — CID 114972950

IUPAC1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
SMILESO=C(CCC1CCCCO1)c1c(F)cccc1F
InChIInChI=1S/C14H16F2O2/c15-11-5-3-6-12(16)14(11)13(17)8-7-10-4-1-2-9-18-10/h3,5-6,10H,1-2,4,7-9H2
InChIKeyNMLMHITZGOBJEW-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.50
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one

1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one (PubChem CID 114972950) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
PubChem CID114972950
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one
SMILESO=C(CCC1CCCCO1)c1c(F)cccc1F
InChIInChI=1S/C14H16F2O2/c15-11-5-3-6-12(16)14(11)13(17)8-7-10-4-1-2-9-18-10/h3,5-6,10H,1-2,4,7-9H2
InChIKeyNMLMHITZGOBJEW-UHFFFAOYSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-4-(oxan-2-yl)butan-2-one
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1-(2,3-difluorophenyl)-4-(oxolan-2-yl)butan-1-one
CID 114976662
5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid
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3-(oxan-2-yl)-1-(1H-pyrrol-3-yl)propan-1-one
CID 63952125
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
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1-(4-bromo-3-fluorophenyl)-3-(oxolan-2-yl)propan-1-one
CID 114976963
2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110731260
(2,6-difluorophenyl)-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]methanone
CID 95258451
2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107014133
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 107515192
3-(oxan-2-yl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 63953733
2-fluoro-6-[methyl(oxan-2-ylmethyl)amino]benzoic acid
CID 79522764

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one?
The IUPAC name of 1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one (CID 114972950) is 1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one is O=C(CCC1CCCCO1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one?
The InChIKey is NMLMHITZGOBJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c15-11-5-3-6-12(16)14(11)13(17)8-7-10-4-1-2-9-18-10/h3,5-6,10H,1-2,4,7-9H2.
What are the key properties of 1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one?
1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one has a molecular weight of 254.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-(oxan-2-yl)propan-1-one is sourced from PubChem (CID 114972950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).