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

C11H16F3NO2 — CID 103148345

IUPAC1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCNC(CCOCC(F)(F)F)Cc1ccco1
InChIInChI=1S/C11H16F3NO2/c1-15-9(7-10-3-2-5-17-10)4-6-16-8-11(12,13)14/h2-3,5,9,15H,4,6-8H2,1H3
InChIKeyVQCSXTCGZUZEAB-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.38
Rot. Bonds7

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

1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103148345) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103148345
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCNC(CCOCC(F)(F)F)Cc1ccco1
InChIInChI=1S/C11H16F3NO2/c1-15-9(7-10-3-2-5-17-10)4-6-16-8-11(12,13)14/h2-3,5,9,15H,4,6-8H2,1H3
InChIKeyVQCSXTCGZUZEAB-UHFFFAOYSA-N
XLogP2.38
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.38
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

4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
CID 83175606
1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105029270
1-(2,3-difluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148436
4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 83182874
1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105177460
1-(5-chloro-2-fluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148276
1-(furan-2-yl)-N-methyl-3-phenylpropan-2-amine
CID 83175691
1-(furan-2-yl)-N,4,5,5-tetramethylhexan-2-amine
CID 105029568
5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
CID 83183463
N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475733
[3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate
CID 129254295

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103148345) is 1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is CNC(CCOCC(F)(F)F)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is VQCSXTCGZUZEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c1-15-9(7-10-3-2-5-17-10)4-6-16-8-11(12,13)14/h2-3,5,9,15H,4,6-8H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 251.25 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).