5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran

C7H11FO — CID 59227693

IUPAC5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(F)CC(C)CO1
InChIInChI=1S/C7H11FO/c1-5-3-7(8)6(2)9-4-5/h5H,3-4H2,1-2H3
InChIKeyIWQDWADIIAXOBF-UHFFFAOYSA-N
MW130.16 g/mol
LogP2.24
Rot. Bonds

About 5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran

5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 59227693) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran
PubChem CID59227693
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran
SMILESCC1=C(F)CC(C)CO1
InChIInChI=1S/C7H11FO/c1-5-3-7(8)6(2)9-4-5/h5H,3-4H2,1-2H3
InChIKeyIWQDWADIIAXOBF-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-ethoxy-2-fluorohex-2-ene
CID 144323398
6-butan-2-yl-4-fluoro-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 146512941
3-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyran
CID 148771557
1-Ethoxy-3-fluoro-5-methylcyclohexa-1,3-diene
CID 156227180
CID 173698589
CID 173698589
3-fluoro-6-propan-2-yl-3,4-dihydro-2H-pyran
CID 177322573
3,6-dimethyl-3,4-dihydro-2H-pyran
CID 12417687
3,6-Dimethyl-2,3,4,5-tetrahydropyran-5-ide;bis(yttrium)
CID 59227676
4,6-dimethyl-3,4-dihydro-2H-pyran
CID 123844819
(3S)-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 171424311
(3R)-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 174332070

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran (CID 59227693) is 5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran is CC1=C(F)CC(C)CO1.
What is the InChIKey of 5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is IWQDWADIIAXOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c1-5-3-7(8)6(2)9-4-5/h5H,3-4H2,1-2H3.
What are the key properties of 5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran?
5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 130.16 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,6-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 59227693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).