4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine

C6H12F3NO — CID 83827235

IUPAC4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine
SMILESCNCCC(OC)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-10-4-3-5(11-2)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeySUJFBANWDDIMIE-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.17
Rot. Bonds4

About 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine

4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine (PubChem CID 83827235) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine
PubChem CID83827235
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine
SMILESCNCCC(OC)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-10-4-3-5(11-2)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeySUJFBANWDDIMIE-UHFFFAOYSA-N
XLogP1.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine (CID 83827235) is 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine is CNCCC(OC)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine?
The InChIKey is SUJFBANWDDIMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-10-4-3-5(11-2)6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine?
4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 83827235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).