N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

C11H20F3NO2 — CID 55095642

IUPACN-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCNC(CCOCC(F)(F)F)CC1CCCO1
InChIInChI=1S/C11H20F3NO2/c1-15-9(7-10-3-2-5-17-10)4-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyVCRDBNXANGHQAW-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.11
Rot. Bonds7

About N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 55095642) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID55095642
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCNC(CCOCC(F)(F)F)CC1CCCO1
InChIInChI=1S/C11H20F3NO2/c1-15-9(7-10-3-2-5-17-10)4-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyVCRDBNXANGHQAW-UHFFFAOYSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 55095692
N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 55095738
4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine
CID 62603324
4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine
CID 62604639
N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine
CID 62605357
5,5,5-trifluoro-N-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 64564943
N-ethyl-5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine
CID 64565149
5,5,5-trifluoro-1-(oxolan-2-yl)-N-propylpentan-2-amine
CID 64565150
1,1,1-trifluoro-N-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65164287
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
CID 65164288
N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164289
N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164339

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 55095642) is N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is CNC(CCOCC(F)(F)F)CC1CCCO1.
What is the InChIKey of N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is VCRDBNXANGHQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-15-9(7-10-3-2-5-17-10)4-6-16-8-11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine?
N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 255.28 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 55095642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).