6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran

C15H18F2O — CID 54424133

IUPAC6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran
SMILESCC1=CCC(CCc2ccc(C)cc2)OC1(F)F
InChIInChI=1S/C15H18F2O/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16,17)18-14/h3-7,14H,8-10H2,1-2H3
InChIKeyWCWMZXZCOVQTNQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP4.26
Rot. Bonds3

About 6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran

6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran (PubChem CID 54424133) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is 6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran.

Molecular Properties

Compound Name6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran
PubChem CID54424133
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran
SMILESCC1=CCC(CCc2ccc(C)cc2)OC1(F)F
InChIInChI=1S/C15H18F2O/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16,17)18-14/h3-7,14H,8-10H2,1-2H3
InChIKeyWCWMZXZCOVQTNQ-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-2-methyl-4-methylene-6-phenyl-
CID 121777
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305
2H-Pyran, 3,6-dihydro-2,4-dimethyl-6-phenyl-
CID 107069
2H-Pyran, 3,6-dihydro-4,6-dimethyl-2-phenyl-
CID 107070
tetrahydro-4-methyl-2-phenyl-2H-pyran
CID 3024003
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4R)-rel-
CID 15640306
2-[4-(Trifluoromethyl)phenyl]oxirane
CID 9990016
Benzene, [2-[(3-methyl-2-buten-1-yl)oxy]ethyl]-
CID 162597
3,6-Dihydro-4,6-dimethyl-2-(1-phenylethyl)-2H-pyran
CID 122420336
4-(2-Methylpropyl)benzyl propyl ether
CID 122553315
p-(Trifluoromethyl)benzyl tert-butyl ether
CID 85980196

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran?
The IUPAC name of 6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran (CID 54424133) is 6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran.
What is the SMILES notation for 6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran?
The canonical SMILES for 6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran is CC1=CCC(CCc2ccc(C)cc2)OC1(F)F.
What is the InChIKey of 6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran?
The InChIKey is WCWMZXZCOVQTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O/c1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(16,17)18-14/h3-7,14H,8-10H2,1-2H3.
What are the key properties of 6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran?
6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran has a molecular weight of 252.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-methyl-2-[2-(4-methylphenyl)ethyl]-2,3-dihydropyran is sourced from PubChem (CID 54424133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).