4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine

C12H22F3NO — CID 104992625

IUPAC4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1C(C)OC(C)C1C
InChIInChI=1S/C12H22F3NO/c1-7-8(2)17-9(3)11(7)10(16-4)5-6-12(13,14)15/h7-11,16H,5-6H2,1-4H3
InChIKeyBVBMIGRSJRYVFH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.98
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine

4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine (PubChem CID 104992625) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
PubChem CID104992625
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1C(C)OC(C)C1C
InChIInChI=1S/C12H22F3NO/c1-7-8(2)17-9(3)11(7)10(16-4)5-6-12(13,14)15/h7-11,16H,5-6H2,1-4H3
InChIKeyBVBMIGRSJRYVFH-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
N-Methyl-2-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 13025937
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421
N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 55095738
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490288
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748692
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749685
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749886
4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine
CID 62603324

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine (CID 104992625) is 4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine is CNC(CCC(F)(F)F)C1C(C)OC(C)C1C.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
The InChIKey is BVBMIGRSJRYVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-7-8(2)17-9(3)11(7)10(16-4)5-6-12(13,14)15/h7-11,16H,5-6H2,1-4H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine?
4,4,4-trifluoro-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)butan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 2.98, 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-(2,4,5-trimethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 104992625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).