3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone

C10H13FO2 — CID 130855794

IUPAC3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2=COCCC2)CC1F
InChIInChI=1S/C10H13FO2/c1-10(5-8(10)11)9(12)7-3-2-4-13-6-7/h6,8H,2-5H2,1H3
InChIKeySMMGKFNAEVRWTE-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.00
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone

3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone (PubChem CID 130855794) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone
PubChem CID130855794
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2=COCCC2)CC1F
InChIInChI=1S/C10H13FO2/c1-10(5-8(10)11)9(12)7-3-2-4-13-6-7/h6,8H,2-5H2,1H3
InChIKeySMMGKFNAEVRWTE-UHFFFAOYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-2-fluoro-2-methylpropan-1-one
CID 130562299
cyclopropyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058246
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylpropan-1-one
CID 104058248
1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one
CID 104058312
1-(3,4-dihydro-2H-pyran-5-yl)-3,3-dimethylbutan-1-one
CID 104058314
3,4-dihydro-2H-pyran-5-yl-(2-methylcyclopropyl)methanone
CID 104058360
3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopropyl)methanone
CID 104058425
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
CID 104058427
3,4-dihydro-2H-pyran-5-yl-(1-methylcyclohexyl)methanone
CID 106829699
3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopropyl)methanone
CID 107004012
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethylhexan-1-one
CID 115797966
3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone
CID 115798002

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone (CID 130855794) is 3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone is CC1(C(=O)C2=COCCC2)CC1F.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone?
The InChIKey is SMMGKFNAEVRWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-10(5-8(10)11)9(12)7-3-2-4-13-6-7/h6,8H,2-5H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone?
3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone has a molecular weight of 184.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone is sourced from PubChem (CID 130855794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).