1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine

C6H11ClF3N — CID 65026285

IUPAC1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)(CCl)NCC(F)(F)F
InChIInChI=1S/C6H11ClF3N/c1-5(2,3-7)11-4-6(8,9)10/h11H,3-4H2,1-2H3
InChIKeyMNRIVLVLGYHSLL-UHFFFAOYSA-N
MW189.61 g/mol
LogP2.16
Rot. Bonds3

About 1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine

1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 65026285) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is 1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID65026285
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)(CCl)NCC(F)(F)F
InChIInChI=1S/C6H11ClF3N/c1-5(2,3-7)11-4-6(8,9)10/h11H,3-4H2,1-2H3
InChIKeyMNRIVLVLGYHSLL-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of 1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 65026285) is 1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for 1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for 1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)(CCl)NCC(F)(F)F.
What is the InChIKey of 1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is MNRIVLVLGYHSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClF3N/c1-5(2,3-7)11-4-6(8,9)10/h11H,3-4H2,1-2H3.
What are the key properties of 1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 189.61 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 65026285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).