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

C11H20F3NO — CID 80685374

IUPAC4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1(C)CCCCO1
InChIInChI=1S/C11H20F3NO/c1-10(6-3-4-8-16-10)9(15-2)5-7-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyADNMCCIZTLOWOV-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.88
Rot. Bonds4

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

4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine (PubChem CID 80685374) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine
PubChem CID80685374
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1(C)CCCCO1
InChIInChI=1S/C11H20F3NO/c1-10(6-3-4-8-16-10)9(15-2)5-7-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyADNMCCIZTLOWOV-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.88
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-(2-methyloxan-2-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine (CID 80685374) is 4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine is CNC(CCC(F)(F)F)C1(C)CCCCO1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine?
The InChIKey is ADNMCCIZTLOWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(6-3-4-8-16-10)9(15-2)5-7-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine?
4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.88, 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-(2-methyloxan-2-yl)butan-1-amine is sourced from PubChem (CID 80685374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).