2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol

C27H29F4N5O3 — CID 171759593

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)C12CC(c3ccc(OCCN4CCOCC4)cc3)(C1)C2
InChIInChI=1S/C27H29F4N5O3/c28-20-3-6-22(23(29)13-20)26(37,17-36-18-32-33-34-36)27(30,31)25-14-24(15-25,16-25)19-1-4-21(5-2-19)39-12-9-35-7-10-38-11-8-35/h1-6,13,18,37H,7-12,14-17H2
InChIKeyGFOLSRUJACLHIU-UHFFFAOYSA-N
MW547.55 g/mol
LogP3.31
Rot. Bonds10

About 2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 171759593) has the molecular formula C27H29F4N5O3 and a molecular weight of 547.55 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol
PubChem CID171759593
Molecular FormulaC27H29F4N5O3
Molecular Weight547.55 g/mol
Exact Mass547.22
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)C12CC(c3ccc(OCCN4CCOCC4)cc3)(C1)C2
InChIInChI=1S/C27H29F4N5O3/c28-20-3-6-22(23(29)13-20)26(37,17-36-18-32-33-34-36)27(30,31)25-14-24(15-25,16-25)19-1-4-21(5-2-19)39-12-9-35-7-10-38-11-8-35/h1-6,13,18,37H,7-12,14-17H2
InChIKeyGFOLSRUJACLHIU-UHFFFAOYSA-N
XLogP3.31
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol 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 2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol (CID 171759593) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol is OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)C12CC(c3ccc(OCCN4CCOCC4)cc3)(C1)C2.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is GFOLSRUJACLHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F4N5O3/c28-20-3-6-22(23(29)13-20)26(37,17-36-18-32-33-34-36)27(30,31)25-14-24(15-25,16-25)19-1-4-21(5-2-19)39-12-9-35-7-10-38-11-8-35/h1-6,13,18,37H,7-12,14-17H2.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 547.55 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[3-[4-(2-morpholin-4-ylethoxy)phenyl]-1-bicyclo[1.1.1]pentanyl]-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 171759593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).