6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran

C15H23F3O — CID 12035594

IUPAC6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran
SMILESCCCCCCC1=CC(C(F)(F)F)=CC(CCC)O1
InChIInChI=1S/C15H23F3O/c1-3-5-6-7-9-14-11-12(15(16,17)18)10-13(19-14)8-4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyAFJVNKKMHGAJBC-UHFFFAOYSA-N
MW276.34 g/mol
LogP5.53
Rot. Bonds7

About 6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran

6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran (PubChem CID 12035594) has the molecular formula C15H23F3O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran.

Molecular Properties

Compound Name6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran
PubChem CID12035594
Molecular FormulaC15H23F3O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran
SMILESCCCCCCC1=CC(C(F)(F)F)=CC(CCC)O1
InChIInChI=1S/C15H23F3O/c1-3-5-6-7-9-14-11-12(15(16,17)18)10-13(19-14)8-4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyAFJVNKKMHGAJBC-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.34
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-Ethoxy-vinyl)-cyclohexene
CID 14296312
1-(1-Butoxyethenyl)cyclohexene
CID 11019469
1-[(1E)-1-ethoxybuta-1,3-dienyl]cyclohexene
CID 11229119
2-heptyl-3,4-dimethyl-2H-pyran
CID 67283434
3-methyl-2-octyl-2H-pyran
CID 85787136
1,2-Difluoro-3-octoxycyclohexa-1,3-diene
CID 21616029
5,6-Difluoro-5-heptoxycyclohexa-1,3-diene
CID 21746763
3-Heptan-4-yloxy-1-(2,2,2-trifluoroethyl)cyclohexene
CID 68341269
4,4-Difluoro-7-methyl-3-(trifluoromethyl)-1,3,5,6-tetrahydroisochromene
CID 71083788
2-[(2R,5Z,6E)-6-ethylidene-5-(2-fluoroethylidene)oxan-2-yl]ethanol
CID 88052027
5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247475
2-[(4E,6E)-5,6-difluoronona-4,6,8-trienyl]-6-ethenyl-5-(2-methylprop-1-enyl)-3,4-dihydro-2H-pyran
CID 89259546

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran?
The IUPAC name of 6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran (CID 12035594) is 6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran.
What is the SMILES notation for 6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran?
The canonical SMILES for 6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran is CCCCCCC1=CC(C(F)(F)F)=CC(CCC)O1.
What is the InChIKey of 6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran?
The InChIKey is AFJVNKKMHGAJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O/c1-3-5-6-7-9-14-11-12(15(16,17)18)10-13(19-14)8-4-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran?
6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran has a molecular weight of 276.34 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-2-propyl-4-(trifluoromethyl)-2H-pyran is sourced from PubChem (CID 12035594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).