4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine

C9H12F3NO — CID 83175606

IUPAC4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
SMILESCNC(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-13-7(6-9(10,11)12)5-8-3-2-4-14-8/h2-4,7,13H,5-6H2,1H3
InChIKeyAAHIVPCTAUKFEZ-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.36
Rot. Bonds4

About 4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine

4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine (PubChem CID 83175606) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
PubChem CID83175606
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
SMILESCNC(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-13-7(6-9(10,11)12)5-8-3-2-4-14-8/h2-4,7,13H,5-6H2,1H3
InChIKeyAAHIVPCTAUKFEZ-UHFFFAOYSA-N
XLogP2.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 129254297
1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148345
1-(furan-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105029270
4-(furan-2-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 83182874
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
1,1-difluoro-3-(furan-2-yl)-N-methylpropan-2-amine
CID 103517029
1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 83176029
1-(furan-2-yl)-2-N,3-N,3-N,3-tetramethylbutane-2,3-diamine
CID 83175258
[3-(furan-2-yl)-2-(methylamino)propyl] methanesulfonate
CID 129254295
4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 61392693

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine (CID 83175606) is 4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine is CNC(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine?
The InChIKey is AAHIVPCTAUKFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-13-7(6-9(10,11)12)5-8-3-2-4-14-8/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine?
4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine has a molecular weight of 207.19 g/mol, XLogP of 2.36, 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-1-(furan-2-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 83175606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).