5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran

C12H19FO — CID 89247335

IUPAC5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1=C(/C=C(\C)F)CC(C)CO1
InChIInChI=1S/C12H19FO/c1-4-5-12-11(7-10(3)13)6-9(2)8-14-12/h7,9H,4-6,8H2,1-3H3/b10-7+
InChIKeyOYTJPEVLWLBLBT-JXMROGBWSA-N
MW198.28 g/mol
LogP3.97
Rot. Bonds3

About 5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran

5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran (PubChem CID 89247335) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran
PubChem CID89247335
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran
SMILESCCCC1=C(/C=C(\C)F)CC(C)CO1
InChIInChI=1S/C12H19FO/c1-4-5-12-11(7-10(3)13)6-9(2)8-14-12/h7,9H,4-6,8H2,1-3H3/b10-7+
InChIKeyOYTJPEVLWLBLBT-JXMROGBWSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethyl-2-fluoro-1-methoxy-5,6-dimethylcyclohexa-1,3-diene
CID 68381402
4-Fluoro-1-methoxy-2,6-dimethylcyclohexa-1,3-diene
CID 70331713
(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
6-[(Z)-1-fluoroprop-1-enyl]-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070397
5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070560

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran (CID 89247335) is 5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran is CCCC1=C(/C=C(\C)F)CC(C)CO1.
What is the InChIKey of 5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran?
The InChIKey is OYTJPEVLWLBLBT-JXMROGBWSA-N. The full InChI is InChI=1S/C12H19FO/c1-4-5-12-11(7-10(3)13)6-9(2)8-14-12/h7,9H,4-6,8H2,1-3H3/b10-7+.
What are the key properties of 5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran?
5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran has a molecular weight of 198.28 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).