1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol

C13H18ClF2NO2 — CID 107487101

IUPAC1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCN(CCC(O)c1cccc(Cl)c1)CC(F)F
InChIInChI=1S/C13H18ClF2NO2/c14-11-3-1-2-10(8-11)12(19)4-5-17(6-7-18)9-13(15)16/h1-3,8,12-13,18-19H,4-7,9H2
InChIKeyGIDADGZBWWOIDH-UHFFFAOYSA-N
MW293.74 g/mol
LogP2.32
Rot. Bonds8

About 1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol

1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 107487101) has the molecular formula C13H18ClF2NO2 and a molecular weight of 293.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol
PubChem CID107487101
Molecular FormulaC13H18ClF2NO2
Molecular Weight293.74 g/mol
Exact Mass293.10
IUPAC Name1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol
SMILESOCCN(CCC(O)c1cccc(Cl)c1)CC(F)F
InChIInChI=1S/C13H18ClF2NO2/c14-11-3-1-2-10(8-11)12(19)4-5-17(6-7-18)9-13(15)16/h1-3,8,12-13,18-19H,4-7,9H2
InChIKeyGIDADGZBWWOIDH-UHFFFAOYSA-N
XLogP2.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62623656
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
CID 78991345
2-[bis(2-hydroxyethyl)amino]-1-(3-bromophenyl)ethanol
CID 82216688
1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62623125
1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63487553
1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
CID 55098657
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
(3-chlorophenyl)-fluoromethanol
CID 70239224
2-[bis(2-hydroxyethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217071
1-(3-chlorophenyl)-3-(N,2,4-trimethylanilino)propan-1-ol
CID 63489443

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol (CID 107487101) is 1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol is OCCN(CCC(O)c1cccc(Cl)c1)CC(F)F.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is GIDADGZBWWOIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2NO2/c14-11-3-1-2-10(8-11)12(19)4-5-17(6-7-18)9-13(15)16/h1-3,8,12-13,18-19H,4-7,9H2.
What are the key properties of 1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol?
1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 293.74 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 107487101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).