N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C8H16F3NO — CID 62531075

IUPACN,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNCC(C)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(5-12-2)3-4-13-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyIDPTVKUEWJZPLE-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.81
Rot. Bonds6

About N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62531075) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62531075
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC NameN,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNCC(C)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(5-12-2)3-4-13-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyIDPTVKUEWJZPLE-UHFFFAOYSA-N
XLogP1.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62531075) is N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CNCC(C)CCOCC(F)(F)F.
What is the InChIKey of N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is IDPTVKUEWJZPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(5-12-2)3-4-13-6-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62531075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).