3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene

C20H25F2NO4 — CID 91100905

IUPAC3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene
SMILESFC(F)Oc1ccc(C2=CC3(CCOC3)ON2)cc1OC1CCCCCC1
InChIInChI=1S/C20H25F2NO4/c21-19(22)26-17-8-7-14(16-12-20(27-23-16)9-10-24-13-20)11-18(17)25-15-5-3-1-2-4-6-15/h7-8,11-12,15,19,23H,1-6,9-10,13H2
InChIKeySOYIQFRAVFDVCN-UHFFFAOYSA-N
MW381.42 g/mol
LogP4.42
Rot. Bonds5

About 3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene

3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene (PubChem CID 91100905) has the molecular formula C20H25F2NO4 and a molecular weight of 381.42 g/mol. Its IUPAC name is 3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene
PubChem CID91100905
Molecular FormulaC20H25F2NO4
Molecular Weight381.42 g/mol
Exact Mass381.18
IUPAC Name3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene
SMILESFC(F)Oc1ccc(C2=CC3(CCOC3)ON2)cc1OC1CCCCCC1
InChIInChI=1S/C20H25F2NO4/c21-19(22)26-17-8-7-14(16-12-20(27-23-16)9-10-24-13-20)11-18(17)25-15-5-3-1-2-4-6-15/h7-8,11-12,15,19,23H,1-6,9-10,13H2
InChIKeySOYIQFRAVFDVCN-UHFFFAOYSA-N
XLogP4.42
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene 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

3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
CID 91294469
cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone
CID 91423051
3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
CID 91156142
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol
CID 91606803
tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate
CID 91517612
1-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenyl]cyclohexane-1-carboxylic acid
CID 91516155
1-[(2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 90970872
7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene
CID 91494855
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-(oxolan-3-yl)methanone
CID 91536341
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone
CID 91270856
2-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-en-4-yl]acetic acid
CID 91392041
[5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-2-(2,2,2-trifluoroethoxy)phenyl] butanoate
CID 90814873

Frequently Asked Questions

What is the IUPAC name of 3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene?
The IUPAC name of 3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene (CID 91100905) is 3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene.
What is the SMILES notation for 3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene?
The canonical SMILES for 3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene is FC(F)Oc1ccc(C2=CC3(CCOC3)ON2)cc1OC1CCCCCC1.
What is the InChIKey of 3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene?
The InChIKey is SOYIQFRAVFDVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NO4/c21-19(22)26-17-8-7-14(16-12-20(27-23-16)9-10-24-13-20)11-18(17)25-15-5-3-1-2-4-6-15/h7-8,11-12,15,19,23H,1-6,9-10,13H2.
What are the key properties of 3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene?
3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene has a molecular weight of 381.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene is sourced from PubChem (CID 91100905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).