[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene

C25H24F2O2 — CID 177041417

IUPAC[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene
SMILESCOCC1(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1(F)F
InChIInChI=1S/C25H24F2O2/c1-28-18-23(17-24(23,26)27)19-29-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,17-19H2,1H3
InChIKeyGPGVHYLHRKEXRF-UHFFFAOYSA-N
MW394.46 g/mol
LogP5.67
Rot. Bonds8

About [[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene

[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene (PubChem CID 177041417) has the molecular formula C25H24F2O2 and a molecular weight of 394.46 g/mol. Its IUPAC name is [[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene.

Molecular Properties

Compound Name[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene
PubChem CID177041417
Molecular FormulaC25H24F2O2
Molecular Weight394.46 g/mol
Exact Mass394.17
IUPAC Name[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene
SMILESCOCC1(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1(F)F
InChIInChI=1S/C25H24F2O2/c1-28-18-23(17-24(23,26)27)19-29-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,17-19H2,1H3
InChIKeyGPGVHYLHRKEXRF-UHFFFAOYSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene?
The IUPAC name of [[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene (CID 177041417) is [[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene.
What is the SMILES notation for [[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene?
The canonical SMILES for [[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene is COCC1(COC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1(F)F.
What is the InChIKey of [[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene?
The InChIKey is GPGVHYLHRKEXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2O2/c1-28-18-23(17-24(23,26)27)19-29-25(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16H,17-19H2,1H3.
What are the key properties of [[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene?
[[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene has a molecular weight of 394.46 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,2-difluoro-1-(methoxymethyl)cyclopropyl]methoxy-diphenylmethyl]benzene is sourced from PubChem (CID 177041417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).