2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine

C9H16F3NO — CID 115338747

IUPAC2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine
SMILESCC1OCCC1NCCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7-8(3-6-14-7)13-5-2-4-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyINTNSNJIGJXDCM-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.10
Rot. Bonds4

About 2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine

2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine (PubChem CID 115338747) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine
PubChem CID115338747
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine
SMILESCC1OCCC1NCCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7-8(3-6-14-7)13-5-2-4-9(10,11)12/h7-8,13H,2-6H2,1H3
InChIKeyINTNSNJIGJXDCM-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-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

2-(1,1,1-Trifluoropropan-2-yloxymethyl)pyrrolidine
CID 66274591
2-Methyl-4-(trifluoromethoxy)pyrrolidine
CID 68562745
2-(4,4-difluoropentoxy)-N-methylpropan-1-amine
CID 91242229
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxymethyl)pyrrolidine
CID 91802907
4,4-Difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 129134151
(2S)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 138741168
4,4-Difluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 139417849
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
CID 141198660
(2S,4S)-2-(difluoromethoxymethyl)-4-methoxypyrrolidine
CID 156774006
1-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]propan-2-amine
CID 166795986
(4R)-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 169009465
(2R,4R)-4-(difluoromethoxy)-2-methylpyrrolidine
CID 169877503

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine (CID 115338747) is 2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine is CC1OCCC1NCCCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine?
The InChIKey is INTNSNJIGJXDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7-8(3-6-14-7)13-5-2-4-9(10,11)12/h7-8,13H,2-6H2,1H3.
What are the key properties of 2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine?
2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine has a molecular weight of 211.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4,4,4-trifluorobutyl)oxolan-3-amine is sourced from PubChem (CID 115338747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).