(2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone

C13H14F2O2 — CID 80684654

IUPAC(2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone
SMILESCC1(C(=O)c2cccc(F)c2F)CCCCO1
InChIInChI=1S/C13H14F2O2/c1-13(7-2-3-8-17-13)12(16)9-5-4-6-10(14)11(9)15/h4-6H,2-3,7-8H2,1H3
InChIKeyRTMYKPJHVSYREH-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.11
Rot. Bonds2

About (2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone

(2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone (PubChem CID 80684654) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone
PubChem CID80684654
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone
SMILESCC1(C(=O)c2cccc(F)c2F)CCCCO1
InChIInChI=1S/C13H14F2O2/c1-13(7-2-3-8-17-13)12(16)9-5-4-6-10(14)11(9)15/h4-6H,2-3,7-8H2,1H3
InChIKeyRTMYKPJHVSYREH-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorophenyl)-(2-methyloxan-2-yl)methanone
CID 80691647
1-benzothiophen-7-yl-(2-methyloxan-2-yl)methanone
CID 81152952
(1-aminocyclopentyl)-(2,3-difluorophenyl)methanone
CID 116558705
2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
CID 112653397
(2-methyloxan-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 80690970
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanone
CID 63990466
(3-methoxyphenyl)-(2-methyloxan-2-yl)methanone
CID 80685429
1-benzothiophen-7-yl-(2-methyloxolan-2-yl)methanone
CID 81153665
(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829761
(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone
CID 114725865
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyloxolan-2-yl)methanone
CID 107288226
2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
CID 116578623

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone (CID 80684654) is (2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone is CC1(C(=O)c2cccc(F)c2F)CCCCO1.
What is the InChIKey of (2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone?
The InChIKey is RTMYKPJHVSYREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c1-13(7-2-3-8-17-13)12(16)9-5-4-6-10(14)11(9)15/h4-6H,2-3,7-8H2,1H3.
What are the key properties of (2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone?
(2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone has a molecular weight of 240.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone is sourced from PubChem (CID 80684654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).