N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine

C12H13Cl2F4N — CID 106289930

IUPACN-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCC(NCC(F)(F)C(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2F4N/c1-2-10(19-6-12(17,18)11(15)16)7-3-4-8(13)9(14)5-7/h3-5,10-11,19H,2,6H2,1H3
InChIKeyWGDCSVFNELIEOP-UHFFFAOYSA-N
MW318.14 g/mol
LogP4.93
Rot. Bonds6

About N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 106289930) has the molecular formula C12H13Cl2F4N and a molecular weight of 318.14 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID106289930
Molecular FormulaC12H13Cl2F4N
Molecular Weight318.14 g/mol
Exact Mass317.04
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCC(NCC(F)(F)C(F)F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2F4N/c1-2-10(19-6-12(17,18)11(15)16)7-3-4-8(13)9(14)5-7/h3-5,10-11,19H,2,6H2,1H3
InChIKeyWGDCSVFNELIEOP-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol
CID 113463351
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
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
2-[1-(3,4-dichlorophenyl)propylamino]acetamide
CID 43754703
3-[1-(3,4-dichlorophenyl)propylamino]-2-methylpropanenitrile
CID 62647103
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43757507
1-(3,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43760641
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
1-(3,4-dichlorophenyl)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 61284688

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 106289930) is N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine is CCC(NCC(F)(F)C(F)F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is WGDCSVFNELIEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F4N/c1-2-10(19-6-12(17,18)11(15)16)7-3-4-8(13)9(14)5-7/h3-5,10-11,19H,2,6H2,1H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 318.14 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 106289930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).