4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran

C16H25F3O2 — CID 160930789

IUPAC4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran
SMILESCOC1=C(CCCCCCCCCC(F)(F)F)COC=C1
InChIInChI=1S/C16H25F3O2/c1-20-15-10-12-21-13-14(15)9-7-5-3-2-4-6-8-11-16(17,18)19/h10,12H,2-9,11,13H2,1H3
InChIKeyUUMGZCLNMXKBOW-UHFFFAOYSA-N
MW306.37 g/mol
LogP5.50
Rot. Bonds10

About 4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran

4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran (PubChem CID 160930789) has the molecular formula C16H25F3O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran.

Molecular Properties

Compound Name4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran
PubChem CID160930789
Molecular FormulaC16H25F3O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran
SMILESCOC1=C(CCCCCCCCCC(F)(F)F)COC=C1
InChIInChI=1S/C16H25F3O2/c1-20-15-10-12-21-13-14(15)9-7-5-3-2-4-6-8-11-16(17,18)19/h10,12H,2-9,11,13H2,1H3
InChIKeyUUMGZCLNMXKBOW-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran?
The IUPAC name of 4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran (CID 160930789) is 4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran.
What is the SMILES notation for 4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran?
The canonical SMILES for 4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran is COC1=C(CCCCCCCCCC(F)(F)F)COC=C1.
What is the InChIKey of 4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran?
The InChIKey is UUMGZCLNMXKBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3O2/c1-20-15-10-12-21-13-14(15)9-7-5-3-2-4-6-8-11-16(17,18)19/h10,12H,2-9,11,13H2,1H3.
What are the key properties of 4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran?
4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran has a molecular weight of 306.37 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(10,10,10-trifluorodecyl)-2H-pyran is sourced from PubChem (CID 160930789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).