2-(3-chloro-2,4-difluorophenyl)propan-2-amine

C9H10ClF2N — CID 84778858

IUPAC2-(3-chloro-2,4-difluorophenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C9H10ClF2N/c1-9(2,13)5-3-4-6(11)7(10)8(5)12/h3-4H,13H2,1-2H3
InChIKeyBDOPIRPKUWEQNH-UHFFFAOYSA-N
MW205.63 g/mol
LogP2.81
Rot. Bonds1

About 2-(3-chloro-2,4-difluorophenyl)propan-2-amine

2-(3-chloro-2,4-difluorophenyl)propan-2-amine (PubChem CID 84778858) has the molecular formula C9H10ClF2N and a molecular weight of 205.63 g/mol. Its IUPAC name is 2-(3-chloro-2,4-difluorophenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-chloro-2,4-difluorophenyl)propan-2-amine
PubChem CID84778858
Molecular FormulaC9H10ClF2N
Molecular Weight205.63 g/mol
Exact Mass205.05
IUPAC Name2-(3-chloro-2,4-difluorophenyl)propan-2-amine
SMILESCC(C)(N)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C9H10ClF2N/c1-9(2,13)5-3-4-6(11)7(10)8(5)12/h3-4H,13H2,1-2H3
InChIKeyBDOPIRPKUWEQNH-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.63
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,4-difluorophenyl)propan-2-amine?
The IUPAC name of 2-(3-chloro-2,4-difluorophenyl)propan-2-amine (CID 84778858) is 2-(3-chloro-2,4-difluorophenyl)propan-2-amine.
What is the SMILES notation for 2-(3-chloro-2,4-difluorophenyl)propan-2-amine?
The canonical SMILES for 2-(3-chloro-2,4-difluorophenyl)propan-2-amine is CC(C)(N)c1ccc(F)c(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2,4-difluorophenyl)propan-2-amine?
The InChIKey is BDOPIRPKUWEQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c1-9(2,13)5-3-4-6(11)7(10)8(5)12/h3-4H,13H2,1-2H3.
What are the key properties of 2-(3-chloro-2,4-difluorophenyl)propan-2-amine?
2-(3-chloro-2,4-difluorophenyl)propan-2-amine has a molecular weight of 205.63 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,4-difluorophenyl)propan-2-amine is sourced from PubChem (CID 84778858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).