1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine

C8H10F3NO — CID 58736050

IUPAC1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C8H10F3NO/c1-2-5(12)6-3-4-7(13-6)8(9,10)11/h3-5H,2,12H2,1H3
InChIKeyOJLPVYNRGAXPKI-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.71
Rot. Bonds2

About 1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine

1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine (PubChem CID 58736050) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine
PubChem CID58736050
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(C(F)(F)F)o1
InChIInChI=1S/C8H10F3NO/c1-2-5(12)6-3-4-7(13-6)8(9,10)11/h3-5H,2,12H2,1H3
InChIKeyOJLPVYNRGAXPKI-UHFFFAOYSA-N
XLogP2.71
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine (CID 58736050) is 1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine is CCC(N)c1ccc(C(F)(F)F)o1.
What is the InChIKey of 1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine?
The InChIKey is OJLPVYNRGAXPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-2-5(12)6-3-4-7(13-6)8(9,10)11/h3-5H,2,12H2,1H3.
What are the key properties of 1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine?
1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine has a molecular weight of 193.17 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)furan-2-yl]propan-1-amine is sourced from PubChem (CID 58736050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).