4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine

C11H16F3NO — CID 83175707

IUPAC4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccoc1)CC(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-2-4-15-10(7-11(12,13)14)6-9-3-5-16-8-9/h3,5,8,10,15H,2,4,6-7H2,1H3
InChIKeyFIQVLDUCLFCJPJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.14
Rot. Bonds6

About 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine

4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine (PubChem CID 83175707) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine
PubChem CID83175707
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccoc1)CC(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-2-4-15-10(7-11(12,13)14)6-9-3-5-16-8-9/h3,5,8,10,15H,2,4,6-7H2,1H3
InChIKeyFIQVLDUCLFCJPJ-UHFFFAOYSA-N
XLogP3.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Furan-3-yl)pyrrolidine
CID 63207902
4-(Furan-3-yl)-2-methylpyrrolidine
CID 64281168
2-Cyclopentyl-N-[2-(furan-3-YL)ethyl]acetamide
CID 71798435
N-[(2S)-1-(furan-3-yl)propan-2-yl]pent-4-enamide
CID 97030197
N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide
CID 97030256
N-[(S)-2-(3-furyl)-1-methylethyl]3-(o-fluorophenyl)propionamide
CID 99874048
[(2R)-2-amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate
CID 66735741
[2-Amino-3-(furan-3-yl)propyl] 2,2,2-trifluoroacetate
CID 77182223
N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine
CID 137428369
1-(Furan-3-yl)propan-2-amine
CID 63203360
methyl 4-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]butanoate
CID 146163818
N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43478774

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine (CID 83175707) is 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine is CCCNC(Cc1ccoc1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine?
The InChIKey is FIQVLDUCLFCJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-2-4-15-10(7-11(12,13)14)6-9-3-5-16-8-9/h3,5,8,10,15H,2,4,6-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine?
4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-2-amine has a molecular weight of 235.25 g/mol, XLogP of 3.14, 6 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-3-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 83175707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).