4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine

C9H12F3NO — CID 79038889

IUPAC4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine
SMILESFC(F)(F)CCCNCc1ccoc1
InChIInChI=1S/C9H12F3NO/c10-9(11,12)3-1-4-13-6-8-2-5-14-7-8/h2,5,7,13H,1,3-4,6H2
InChIKeyXVDLFJLRFBXAIH-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.71
Rot. Bonds5

About 4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine

4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine (PubChem CID 79038889) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine
PubChem CID79038889
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine
SMILESFC(F)(F)CCCNCc1ccoc1
InChIInChI=1S/C9H12F3NO/c10-9(11,12)3-1-4-13-6-8-2-5-14-7-8/h2,5,7,13H,1,3-4,6H2
InChIKeyXVDLFJLRFBXAIH-UHFFFAOYSA-N
XLogP2.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
N-[(4-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 79038802
5-(furan-3-ylmethylamino)pentanenitrile
CID 115611430
3-ethoxy-N-(furan-3-ylmethyl)propan-1-amine
CID 62997867
N-(furan-3-ylmethyl)hept-6-en-1-amine
CID 107007166
4,4,4-trifluoro-N-[(1-methylpyrrol-3-yl)methyl]butan-1-amine
CID 115516568
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
1-[3-(furan-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 115606925
N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883665
2-bromo-4-[(4,4,4-trifluorobutylamino)methyl]phenol
CID 113326981
4-(furan-3-ylmethylamino)-N-methylbutanamide
CID 115607627

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine (CID 79038889) is 4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine is FC(F)(F)CCCNCc1ccoc1.
What is the InChIKey of 4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine?
The InChIKey is XVDLFJLRFBXAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c10-9(11,12)3-1-4-13-6-8-2-5-14-7-8/h2,5,7,13H,1,3-4,6H2.
What are the key properties of 4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine?
4,4,4-trifluoro-N-(furan-3-ylmethyl)butan-1-amine has a molecular weight of 207.19 g/mol, XLogP of 2.71, 5 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-(furan-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 79038889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).