(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C12H10F2O2 — CID 102646868

IUPAC(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1cc(F)ccc1F
InChIInChI=1S/C12H10F2O2/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h3-5,7H,1-2,6H2
InChIKeyPSVRTAIUSLAGQC-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.84
Rot. Bonds2

About (2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102646868) has the molecular formula C12H10F2O2 and a molecular weight of 224.21 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102646868
Molecular FormulaC12H10F2O2
Molecular Weight224.21 g/mol
Exact Mass224.06
IUPAC Name(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1cc(F)ccc1F
InChIInChI=1S/C12H10F2O2/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h3-5,7H,1-2,6H2
InChIKeyPSVRTAIUSLAGQC-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648565
3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 102646801
[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 95904492
(2-chloro-4-methylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106865225
(2,3-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652719
(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648271
1,3-benzodioxol-5-yl-(2,5-difluorophenyl)methanone
CID 43337477
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648583
(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methanone
CID 43337432
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5-difluorobenzamide
CID 30501354
2,3-dihydro-1H-isoindol-5-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648499
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102646868) is (2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is PSVRTAIUSLAGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O2/c13-8-4-5-10(14)9(7-8)12(15)11-3-1-2-6-16-11/h3-5,7H,1-2,6H2.
What are the key properties of (2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 224.21 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102646868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).