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

C9H18F3NO — CID 62723328

IUPACN,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNCC(C)(C)CCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2,6-13-3)4-5-14-7-9(10,11)12/h13H,4-7H2,1-3H3
InChIKeyVTMQNWKJSLYGRS-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.20
Rot. Bonds6

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

N,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62723328) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is N,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62723328
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC NameN,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNCC(C)(C)CCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2,6-13-3)4-5-14-7-9(10,11)12/h13H,4-7H2,1-3H3
InChIKeyVTMQNWKJSLYGRS-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.20
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,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62723328) is N,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CNCC(C)(C)CCOCC(F)(F)F.
What is the InChIKey of N,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is VTMQNWKJSLYGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-8(2,6-13-3)4-5-14-7-9(10,11)12/h13H,4-7H2,1-3H3.
What are the key properties of N,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
N,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62723328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).