(3,5-difluorophenyl)-(oxan-2-yl)methanone

C12H12F2O2 — CID 114970560

IUPAC(3,5-difluorophenyl)-(oxan-2-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)C1CCCCO1
InChIInChI=1S/C12H12F2O2/c13-9-5-8(6-10(14)7-9)12(15)11-3-1-2-4-16-11/h5-7,11H,1-4H2
InChIKeyRDALYVKJUUOPGP-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.72
Rot. Bonds2

About (3,5-difluorophenyl)-(oxan-2-yl)methanone

(3,5-difluorophenyl)-(oxan-2-yl)methanone (PubChem CID 114970560) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(oxan-2-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(oxan-2-yl)methanone
PubChem CID114970560
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name(3,5-difluorophenyl)-(oxan-2-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)C1CCCCO1
InChIInChI=1S/C12H12F2O2/c13-9-5-8(6-10(14)7-9)12(15)11-3-1-2-4-16-11/h5-7,11H,1-4H2
InChIKeyRDALYVKJUUOPGP-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,5-difluorophenyl)-(oxan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl-(3,5-difluorophenyl)methanone
CID 24724213
(4-hydroxyphenyl)-(oxan-2-yl)methanone
CID 67839565
(3,5-difluorophenyl)-(oxan-4-yl)methanone
CID 63936069
(2,6-difluorophenyl)-(oxolan-2-yl)methanone
CID 65331301
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone
CID 63021604
(4-cyclohexylphenyl)-(oxan-2-yl)methanone
CID 62212791
oxan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 62214214
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
(2,5-dimethylfuran-3-yl)-(oxan-2-yl)methanone
CID 62214951
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
(4-ethylmorpholin-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 79705374

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(oxan-2-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(oxan-2-yl)methanone (CID 114970560) is (3,5-difluorophenyl)-(oxan-2-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(oxan-2-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(oxan-2-yl)methanone is O=C(c1cc(F)cc(F)c1)C1CCCCO1.
What is the InChIKey of (3,5-difluorophenyl)-(oxan-2-yl)methanone?
The InChIKey is RDALYVKJUUOPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-9-5-8(6-10(14)7-9)12(15)11-3-1-2-4-16-11/h5-7,11H,1-4H2.
What are the key properties of (3,5-difluorophenyl)-(oxan-2-yl)methanone?
(3,5-difluorophenyl)-(oxan-2-yl)methanone has a molecular weight of 226.22 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(oxan-2-yl)methanone is sourced from PubChem (CID 114970560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).