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

C10H18F3NO — CID 104992872

IUPAC4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1CCCCO1
InChIInChI=1S/C10H18F3NO/c1-14-8(5-6-10(11,12)13)9-4-2-3-7-15-9/h8-9,14H,2-7H2,1H3
InChIKeyLSIHDZSBTJNKTP-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds4

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

4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine (PubChem CID 104992872) 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-(oxan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine
PubChem CID104992872
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine
SMILESCNC(CCC(F)(F)F)C1CCCCO1
InChIInChI=1S/C10H18F3NO/c1-14-8(5-6-10(11,12)13)9-4-2-3-7-15-9/h8-9,14H,2-7H2,1H3
InChIKeyLSIHDZSBTJNKTP-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine
CID 105055058
2-cyclopropyl-N-methyl-1-(oxan-2-yl)ethanamine
CID 104986525
2,2,2-trifluoro-N-methyl-1-(oxan-2-yl)ethanamine
CID 142607542
N-methyl-1-(oxolan-2-yl)hexan-1-amine
CID 65331605
N-methyl-1-(oxan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115849284
N-methyl-1-(oxolan-2-yl)hex-5-en-1-amine
CID 65328746
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
5,5,5-trifluoro-N-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 64564943
N-[1,3-bis(oxan-2-yl)butyl]-1,3-bis(oxan-2-yl)butan-1-amine
CID 173131029
4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine
CID 115896543
1-(4,4-dimethylcyclohexyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 65392021
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine (CID 104992872) is 4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine is CNC(CCC(F)(F)F)C1CCCCO1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine?
The InChIKey is LSIHDZSBTJNKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-14-8(5-6-10(11,12)13)9-4-2-3-7-15-9/h8-9,14H,2-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine?
4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 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-(oxan-2-yl)butan-1-amine is sourced from PubChem (CID 104992872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).