6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran

C12H19FO — CID 89247349

IUPAC6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran
SMILESC=C(F)C(C)CC1=C(C)CC(C)CO1
InChIInChI=1S/C12H19FO/c1-8-5-10(3)12(14-7-8)6-9(2)11(4)13/h8-9H,4-7H2,1-3H3
InChIKeyKUBWMAOVRCHQJW-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.83
Rot. Bonds3

About 6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran

6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 89247349) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran
PubChem CID89247349
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran
SMILESC=C(F)C(C)CC1=C(C)CC(C)CO1
InChIInChI=1S/C12H19FO/c1-8-5-10(3)12(14-7-8)6-9(2)11(4)13/h8-9H,4-7H2,1-3H3
InChIKeyKUBWMAOVRCHQJW-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-1-methyl-4-propan-2-ylcyclohexa-1,4-diene
CID 101790812
(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
6-(fluoromethyl)-5-[(E)-2-fluoro-3-methylbut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070305
5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070306
5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070308
5-ethyl-6-(3-fluoro-2-methylpropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070312
(8S)-6,8-difluoro-3,7-dimethyl-3,4,7,8-tetrahydro-2H-chromene
CID 71070317
6-(3-fluoro-2-methylbutyl)-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 71070338
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070349
5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran
CID 89247335
6-ethyl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247336
5-(2-fluoro-3-methylbut-3-enyl)-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 89247337

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran (CID 89247349) is 6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran is C=C(F)C(C)CC1=C(C)CC(C)CO1.
What is the InChIKey of 6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is KUBWMAOVRCHQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO/c1-8-5-10(3)12(14-7-8)6-9(2)11(4)13/h8-9H,4-7H2,1-3H3.
What are the key properties of 6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran?
6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran has a molecular weight of 198.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methylbut-3-enyl)-3,5-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).