(3,5-difluorophenyl)-(oxan-4-yl)methanone

C12H12F2O2 — CID 63936069

IUPAC(3,5-difluorophenyl)-(oxan-4-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)C1CCOCC1
InChIInChI=1S/C12H12F2O2/c13-10-5-9(6-11(14)7-10)12(15)8-1-3-16-4-2-8/h5-8H,1-4H2
InChIKeyBTIRIKFXBZPITC-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.57
Rot. Bonds2

About (3,5-difluorophenyl)-(oxan-4-yl)methanone

(3,5-difluorophenyl)-(oxan-4-yl)methanone (PubChem CID 63936069) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(oxan-4-yl)methanone
PubChem CID63936069
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name(3,5-difluorophenyl)-(oxan-4-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)C1CCOCC1
InChIInChI=1S/C12H12F2O2/c13-10-5-9(6-11(14)7-10)12(15)8-1-3-16-4-2-8/h5-8H,1-4H2
InChIKeyBTIRIKFXBZPITC-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(3,5-difluorophenyl)methanone
CID 24724213
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
oxan-4-yl-(2,4,5-trifluorophenyl)methanone
CID 103301496
[4-(aminomethyl)cyclohexyl]-(3,5-difluorophenyl)methanone
CID 116592503
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252
(3-bromo-5-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79909445
[3-fluoro-4-(trifluoromethyl)phenyl]-(oxan-4-yl)methanone
CID 107288167
(3,5-difluorophenyl)-(oxan-2-yl)methanone
CID 114970560
(3-bromophenyl)-(oxan-4-yl)methanone
CID 63934842
cyclopropyl-(3,4,5-trifluorophenyl)methanone
CID 24724112
oxan-4-yl-(4-phenylphenyl)methanone
CID 62905640
oxan-4-yl(thiophen-3-yl)methanone
CID 18994237

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(oxan-4-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(oxan-4-yl)methanone (CID 63936069) is (3,5-difluorophenyl)-(oxan-4-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(oxan-4-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(oxan-4-yl)methanone is O=C(c1cc(F)cc(F)c1)C1CCOCC1.
What is the InChIKey of (3,5-difluorophenyl)-(oxan-4-yl)methanone?
The InChIKey is BTIRIKFXBZPITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-10-5-9(6-11(14)7-10)12(15)8-1-3-16-4-2-8/h5-8H,1-4H2.
What are the key properties of (3,5-difluorophenyl)-(oxan-4-yl)methanone?
(3,5-difluorophenyl)-(oxan-4-yl)methanone has a molecular weight of 226.22 g/mol, XLogP of 2.57, 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-4-yl)methanone is sourced from PubChem (CID 63936069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).