N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine

C11H13Cl2F2N — CID 83108581

IUPACN-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine
SMILESCC(C)NCC(F)(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2F2N/c1-7(2)16-6-11(14,15)8-3-4-9(12)10(13)5-8/h3-5,7,16H,6H2,1-2H3
InChIKeyIQEUBJVYIULHSF-UHFFFAOYSA-N
MW268.13 g/mol
LogP4.08
Rot. Bonds4

About N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine

N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine (PubChem CID 83108581) has the molecular formula C11H13Cl2F2N and a molecular weight of 268.13 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine
PubChem CID83108581
Molecular FormulaC11H13Cl2F2N
Molecular Weight268.13 g/mol
Exact Mass267.04
IUPAC NameN-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine
SMILESCC(C)NCC(F)(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H13Cl2F2N/c1-7(2)16-6-11(14,15)8-3-4-9(12)10(13)5-8/h3-5,7,16H,6H2,1-2H3
InChIKeyIQEUBJVYIULHSF-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-1-amine
CID 83108459
N-(2,2-difluoro-2-pyridin-4-ylethyl)propan-2-amine
CID 83108468
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide
CID 166376489
3-(3,4-dichlorophenyl)-3-fluorobutan-2-amine
CID 130574670
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride
CID 167739763
2-(4-tert-butyl-3-chlorophenyl)-2,2-difluoro-N-methylethanamine
CID 105424776
2-(3,4-dichlorophenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63510738
3-(3,4-dichlorophenyl)-3-methylbutan-2-ol
CID 66740002
3-(3,4-dichlorophenyl)-1,1,1-trifluoro-3-methylbutan-2-amine
CID 132588737
2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 49320012
2-(2-chloro-5-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 105396214

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine (CID 83108581) is N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine is CC(C)NCC(F)(F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine?
The InChIKey is IQEUBJVYIULHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F2N/c1-7(2)16-6-11(14,15)8-3-4-9(12)10(13)5-8/h3-5,7,16H,6H2,1-2H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine?
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine has a molecular weight of 268.13 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine is sourced from PubChem (CID 83108581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).