4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine

C10H18F3NO — CID 104992740

IUPAC4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1OCCC1C
InChIInChI=1S/C10H18F3NO/c1-7-4-6-15-9(7)8(14-2)3-5-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyMLMKPJQYDUCSTI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine

4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine (PubChem CID 104992740) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine
PubChem CID104992740
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1OCCC1C
InChIInChI=1S/C10H18F3NO/c1-7-4-6-15-9(7)8(14-2)3-5-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyMLMKPJQYDUCSTI-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
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-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine (CID 104992740) is 4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine is CNC(CCC(F)(F)F)C1OCCC1C.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine?
The InChIKey is MLMKPJQYDUCSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7-4-6-15-9(7)8(14-2)3-5-10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine?
4,4,4-trifluoro-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 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-N-methyl-1-(3-methyloxolan-2-yl)butan-1-amine is sourced from PubChem (CID 104992740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).