3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol

C12H13Cl2F2NO2 — CID 103788042

IUPAC3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol
SMILESOC(CNC1CCOc2c(Cl)cc(Cl)cc21)C(F)F
InChIInChI=1S/C12H13Cl2F2NO2/c13-6-3-7-9(17-5-10(18)12(15)16)1-2-19-11(7)8(14)4-6/h3-4,9-10,12,17-18H,1-2,5H2
InChIKeyDEUYZHBPPJXMAZ-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.03
Rot. Bonds4

About 3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol

3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol (PubChem CID 103788042) has the molecular formula C12H13Cl2F2NO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol
PubChem CID103788042
Molecular FormulaC12H13Cl2F2NO2
Molecular Weight312.14 g/mol
Exact Mass311.03
IUPAC Name3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol
SMILESOC(CNC1CCOc2c(Cl)cc(Cl)cc21)C(F)F
InChIInChI=1S/C12H13Cl2F2NO2/c13-6-3-7-9(17-5-10(18)12(15)16)1-2-19-11(7)8(14)4-6/h3-4,9-10,12,17-18H,1-2,5H2
InChIKeyDEUYZHBPPJXMAZ-UHFFFAOYSA-N
XLogP3.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol with MolForge

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Related Compounds

4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol
CID 66089429
N'-(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 60888947
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 115920158
4-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]butanoic acid
CID 60782781
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334
6,8-dichloro-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769607
6,8-dichloro-N-(2,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43758747
6,8-dichloro-N-(6-methylheptan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43769266
3-[[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107270591
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-2-ethylpropane-1,3-diol
CID 103935764
6,8-dichloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 63456363
2-[2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]acetamide
CID 106235366

Frequently Asked Questions

What is the IUPAC name of 3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol (CID 103788042) is 3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol is OC(CNC1CCOc2c(Cl)cc(Cl)cc21)C(F)F.
What is the InChIKey of 3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol?
The InChIKey is DEUYZHBPPJXMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F2NO2/c13-6-3-7-9(17-5-10(18)12(15)16)1-2-19-11(7)8(14)4-6/h3-4,9-10,12,17-18H,1-2,5H2.
What are the key properties of 3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol?
3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol has a molecular weight of 312.14 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103788042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).