3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol

C11H13Cl2F2NO2 — CID 106176958

IUPAC3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2F2NO2/c12-7-1-2-9(13)8(3-7)10(18)4-16-5-11(14,15)6-17/h1-3,10,16-18H,4-6H2
InChIKeyHPTAZZFHTGRESY-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.24
Rot. Bonds6

About 3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol

3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol (PubChem CID 106176958) has the molecular formula C11H13Cl2F2NO2 and a molecular weight of 300.13 g/mol. Its IUPAC name is 3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol
PubChem CID106176958
Molecular FormulaC11H13Cl2F2NO2
Molecular Weight300.13 g/mol
Exact Mass299.03
IUPAC Name3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCC(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2F2NO2/c12-7-1-2-9(13)8(3-7)10(18)4-16-5-11(14,15)6-17/h1-3,10,16-18H,4-6H2
InChIKeyHPTAZZFHTGRESY-UHFFFAOYSA-N
XLogP2.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol (CID 106176958) is 3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNCC(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is HPTAZZFHTGRESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F2NO2/c12-7-1-2-9(13)8(3-7)10(18)4-16-5-11(14,15)6-17/h1-3,10,16-18H,4-6H2.
What are the key properties of 3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol?
3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 300.13 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106176958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).