6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran

C19H28F2O — CID 54544564

IUPAC6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran
SMILESCC1=CCC(C2CCC(C3CC=C(C)C(F)(F)O3)CC2)CC1
InChIInChI=1S/C19H28F2O/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(20,21)22-18/h3,5,15-18H,4,6-12H2,1-2H3
InChIKeyZFPUVDGVFWPAEK-UHFFFAOYSA-N
MW310.43 g/mol
LogP5.87
Rot. Bonds2

About 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran

6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran (PubChem CID 54544564) has the molecular formula C19H28F2O and a molecular weight of 310.43 g/mol. Its IUPAC name is 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran.

Molecular Properties

Compound Name6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran
PubChem CID54544564
Molecular FormulaC19H28F2O
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran
SMILESCC1=CCC(C2CCC(C3CC=C(C)C(F)(F)O3)CC2)CC1
InChIInChI=1S/C19H28F2O/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(20,21)22-18/h3,5,15-18H,4,6-12H2,1-2H3
InChIKeyZFPUVDGVFWPAEK-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.43
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene
CID 18411070
2-(2,2-difluoroethenyl)-5-[4-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]cyclohexyl]oxane
CID 20599464
2-(2,2-difluoroethenyl)-5-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]oxane
CID 20599472
2-[(E)-2-[4-(3,3-difluoroprop-2-enyl)cyclohexyl]ethenyl]-5-pentyloxane
CID 20599491
2-[(E)-2-[4-(5,5-difluoropent-4-enyl)cyclohexyl]ethenyl]-5-[4-[(E)-prop-1-enyl]cyclohexyl]oxane
CID 20599526
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599556
2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(1E)-hexa-1,5-dienyl]oxane
CID 20599589
2-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane
CID 20599591
2-[4-[4-[4-(5,5-difluoropent-4-enyl)cyclohexyl]butyl]cyclohexyl]-5-[(E)-pent-1-enyl]oxane
CID 20599667
2-[4-[4-[4-(5,5-difluoropent-4-enyl)cyclohexyl]cyclohexyl]butyl]-5-[(E)-prop-1-enyl]oxane
CID 20599668
2-[4-(4,4-difluorobut-3-enyl)cyclohexyl]-5-[(E)-prop-1-enyl]oxane
CID 20599686
2-[4-[4-(5,5-difluoropent-4-enyl)cyclohexyl]butyl]-5-[4-[(E)-pent-1-enyl]cyclohexyl]oxane
CID 20599693

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran?
The IUPAC name of 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran (CID 54544564) is 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran.
What is the SMILES notation for 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran?
The canonical SMILES for 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran is CC1=CCC(C2CCC(C3CC=C(C)C(F)(F)O3)CC2)CC1.
What is the InChIKey of 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran?
The InChIKey is ZFPUVDGVFWPAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2O/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(20,21)22-18/h3,5,15-18H,4,6-12H2,1-2H3.
What are the key properties of 6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran?
6,6-difluoro-5-methyl-2-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran has a molecular weight of 310.43 g/mol, XLogP of 5.87, 2 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-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]-2,3-dihydropyran is sourced from PubChem (CID 54544564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).