ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine

C13H30F3NO — CID 164919041

IUPACethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCC.CC.COC(C)(C)CCN(C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO.2C2H6/c1-8(2,14-4)5-6-13(3)7-9(10,11)12;2*1-2/h5-7H2,1-4H3;2*1-2H3
InChIKeyHROLKWYFLMDQPB-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.35
Rot. Bonds5

About ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine

ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 164919041) has the molecular formula C13H30F3NO and a molecular weight of 273.38 g/mol. Its IUPAC name is ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound Nameethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID164919041
Molecular FormulaC13H30F3NO
Molecular Weight273.38 g/mol
Exact Mass273.23
IUPAC Nameethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCC.CC.COC(C)(C)CCN(C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO.2C2H6/c1-8(2,14-4)5-6-13(3)7-9(10,11)12;2*1-2/h5-7H2,1-4H3;2*1-2H3
InChIKeyHROLKWYFLMDQPB-UHFFFAOYSA-N
XLogP4.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine (CID 164919041) is ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine is CC.CC.COC(C)(C)CCN(C)CC(F)(F)F.
What is the InChIKey of ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is HROLKWYFLMDQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO.2C2H6/c1-8(2,14-4)5-6-13(3)7-9(10,11)12;2*1-2/h5-7H2,1-4H3;2*1-2H3.
What are the key properties of ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 164919041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).