(1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine

C7H14F3NO — CID 166445925

IUPAC(1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC[C@@H](OCC(F)(F)F)N(C)C
InChIInChI=1S/C7H14F3NO/c1-4-6(11(2)3)12-5-7(8,9)10/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyQRUGQVPFECXMBG-ZCFIWIBFSA-N
MW185.19 g/mol
LogP1.86
Rot. Bonds4

About (1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine

(1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 166445925) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID166445925
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name(1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC[C@@H](OCC(F)(F)F)N(C)C
InChIInChI=1S/C7H14F3NO/c1-4-6(11(2)3)12-5-7(8,9)10/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyQRUGQVPFECXMBG-ZCFIWIBFSA-N
XLogP1.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of (1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine (CID 166445925) is (1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for (1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for (1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine is CC[C@@H](OCC(F)(F)F)N(C)C.
What is the InChIKey of (1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is QRUGQVPFECXMBG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-4-6(11(2)3)12-5-7(8,9)10/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine?
(1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-1-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 166445925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).