3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol

C12H15Cl2F2NO — CID 113463351

IUPAC3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol
SMILESCCC(NCC(F)(F)CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2F2NO/c1-2-11(17-6-12(15,16)7-18)8-3-4-9(13)10(14)5-8/h3-5,11,17-18H,2,6-7H2,1H3
InChIKeyJYYLHZCBGGLRJX-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.66
Rot. Bonds6

About 3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol

3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol (PubChem CID 113463351) has the molecular formula C12H15Cl2F2NO and a molecular weight of 298.16 g/mol. Its IUPAC name is 3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol
PubChem CID113463351
Molecular FormulaC12H15Cl2F2NO
Molecular Weight298.16 g/mol
Exact Mass297.05
IUPAC Name3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol
SMILESCCC(NCC(F)(F)CO)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2F2NO/c1-2-11(17-6-12(15,16)7-18)8-3-4-9(13)10(14)5-8/h3-5,11,17-18H,2,6-7H2,1H3
InChIKeyJYYLHZCBGGLRJX-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106289930
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
2-[1-(3,4-dichlorophenyl)propylamino]acetamide
CID 43754703
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913520
4-[1-(3,4-dichlorophenyl)propylamino]butanamide
CID 60863213
3-[1-(3,4-dichlorophenyl)propylamino]-2-methylpropanenitrile
CID 62647103
2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 106818131
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757507

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol (CID 113463351) is 3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol is CCC(NCC(F)(F)CO)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol?
The InChIKey is JYYLHZCBGGLRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2F2NO/c1-2-11(17-6-12(15,16)7-18)8-3-4-9(13)10(14)5-8/h3-5,11,17-18H,2,6-7H2,1H3.
What are the key properties of 3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol?
3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol has a molecular weight of 298.16 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 113463351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).