5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine

C24H17F7N2O — CID 138458221

IUPAC5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine
SMILESFc1cc2cc(OC(F)(F)c3ncc(C4CCCCC4)cn3)ccc2c(F)c1C#CC(F)(F)F
InChIInChI=1S/C24H17F7N2O/c25-20-11-15-10-17(6-7-18(15)21(26)19(20)8-9-23(27,28)29)34-24(30,31)22-32-12-16(13-33-22)14-4-2-1-3-5-14/h6-7,10-14H,1-5H2
InChIKeyHVDPZTFFHUVQAQ-UHFFFAOYSA-N
MW482.40 g/mol
LogP7.00
Rot. Bonds4

About 5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine

5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine (PubChem CID 138458221) has the molecular formula C24H17F7N2O and a molecular weight of 482.40 g/mol. Its IUPAC name is 5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine.

Molecular Properties

Compound Name5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine
PubChem CID138458221
Molecular FormulaC24H17F7N2O
Molecular Weight482.40 g/mol
Exact Mass482.12
IUPAC Name5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine
SMILESFc1cc2cc(OC(F)(F)c3ncc(C4CCCCC4)cn3)ccc2c(F)c1C#CC(F)(F)F
InChIInChI=1S/C24H17F7N2O/c25-20-11-15-10-17(6-7-18(15)21(26)19(20)8-9-23(27,28)29)34-24(30,31)22-32-12-16(13-33-22)14-4-2-1-3-5-14/h6-7,10-14H,1-5H2
InChIKeyHVDPZTFFHUVQAQ-UHFFFAOYSA-N
XLogP7.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.40
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine 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 5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine?
The IUPAC name of 5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine (CID 138458221) is 5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine.
What is the SMILES notation for 5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine?
The canonical SMILES for 5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine is Fc1cc2cc(OC(F)(F)c3ncc(C4CCCCC4)cn3)ccc2c(F)c1C#CC(F)(F)F.
What is the InChIKey of 5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine?
The InChIKey is HVDPZTFFHUVQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F7N2O/c25-20-11-15-10-17(6-7-18(15)21(26)19(20)8-9-23(27,28)29)34-24(30,31)22-32-12-16(13-33-22)14-4-2-1-3-5-14/h6-7,10-14H,1-5H2.
What are the key properties of 5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine?
5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine has a molecular weight of 482.40 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-[[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxy-difluoromethyl]pyrimidine is sourced from PubChem (CID 138458221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).