1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol

C12H15Cl2F2NO — CID 114079785

IUPAC1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1cccc(Cl)c1Cl)CC(F)F
InChIInChI=1S/C12H15Cl2F2NO/c1-17(7-11(15)16)6-5-10(18)8-3-2-4-9(13)12(8)14/h2-4,10-11,18H,5-7H2,1H3
InChIKeyJWAHFUIXSXNETL-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.61
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol

1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol (PubChem CID 114079785) has the molecular formula C12H15Cl2F2NO and a molecular weight of 298.16 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol
PubChem CID114079785
Molecular FormulaC12H15Cl2F2NO
Molecular Weight298.16 g/mol
Exact Mass297.05
IUPAC Name1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol
SMILESCN(CCC(O)c1cccc(Cl)c1Cl)CC(F)F
InChIInChI=1S/C12H15Cl2F2NO/c1-17(7-11(15)16)6-5-10(18)8-3-2-4-9(13)12(8)14/h2-4,10-11,18H,5-7H2,1H3
InChIKeyJWAHFUIXSXNETL-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-one
CID 114079761
1-(2-chlorophenyl)-3-[ethyl(methyl)amino]propan-1-ol
CID 62628760
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
1-(2,3-dichlorophenyl)hex-4-yn-1-ol
CID 104809418
1-(2-fluorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-ol
CID 62630697
1-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 62789609
1-(2,3-dichlorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927602
4-(2,3-dichlorophenyl)-N,4-dihydroxy-N-methyl-2-oxobutanamide
CID 174755418
1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147543
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-ol
CID 55099549
1-(2-chlorophenyl)-3-[methyl(thiophen-2-ylmethyl)amino]propan-1-ol
CID 62630994
1-(2,3-dichlorophenyl)-2-(4-methylphenyl)ethanol
CID 62790994

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol (CID 114079785) is 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol is CN(CCC(O)c1cccc(Cl)c1Cl)CC(F)F.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol?
The InChIKey is JWAHFUIXSXNETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2F2NO/c1-17(7-11(15)16)6-5-10(18)8-3-2-4-9(13)12(8)14/h2-4,10-11,18H,5-7H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol?
1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol has a molecular weight of 298.16 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[2,2-difluoroethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 114079785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).