[7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

C19H17F2NO5 — CID 175253033

IUPAC[7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCC1(C)COc2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2C1OC(N)=O
InChIInChI=1S/C19H17F2NO5/c1-18(2)9-24-14-7-10(3-5-12(14)16(18)25-17(22)23)11-4-6-13-15(8-11)27-19(20,21)26-13/h3-8,16H,9H2,1-2H3,(H2,22,23)
InChIKeyOKTUIKSVHHLEOI-UHFFFAOYSA-N
MW377.34 g/mol
LogP4.23
Rot. Bonds2

About [7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate

[7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (PubChem CID 175253033) has the molecular formula C19H17F2NO5 and a molecular weight of 377.34 g/mol. Its IUPAC name is [7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
PubChem CID175253033
Molecular FormulaC19H17F2NO5
Molecular Weight377.34 g/mol
Exact Mass377.11
IUPAC Name[7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
SMILESCC1(C)COc2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2C1OC(N)=O
InChIInChI=1S/C19H17F2NO5/c1-18(2)9-24-14-7-10(3-5-12(14)16(18)25-17(22)23)11-4-6-13-15(8-11)27-19(20,21)26-13/h3-8,16H,9H2,1-2H3,(H2,22,23)
InChIKeyOKTUIKSVHHLEOI-UHFFFAOYSA-N
XLogP4.23
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate 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 [7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The IUPAC name of [7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate (CID 175253033) is [7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate.
What is the SMILES notation for [7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The canonical SMILES for [7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is CC1(C)COc2cc(-c3ccc4c(c3)OC(F)(F)O4)ccc2C1OC(N)=O.
What is the InChIKey of [7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
The InChIKey is OKTUIKSVHHLEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO5/c1-18(2)9-24-14-7-10(3-5-12(14)16(18)25-17(22)23)11-4-6-13-15(8-11)27-19(20,21)26-13/h3-8,16H,9H2,1-2H3,(H2,22,23).
What are the key properties of [7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate?
[7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate has a molecular weight of 377.34 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate is sourced from PubChem (CID 175253033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).