4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline

C14H13F4NO — CID 62632909

IUPAC4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
SMILESCCC(Nc1ccc(F)c(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C14H13F4NO/c1-2-12(13-4-3-7-20-13)19-9-5-6-11(15)10(8-9)14(16,17)18/h3-8,12,19H,2H2,1H3
InChIKeyVPJDJKQKLDZAHR-UHFFFAOYSA-N
MW287.26 g/mol
LogP5.00
Rot. Bonds4

About 4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline

4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline (PubChem CID 62632909) has the molecular formula C14H13F4NO and a molecular weight of 287.26 g/mol. Its IUPAC name is 4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
PubChem CID62632909
Molecular FormulaC14H13F4NO
Molecular Weight287.26 g/mol
Exact Mass287.09
IUPAC Name4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
SMILESCCC(Nc1ccc(F)c(C(F)(F)F)c1)c1ccco1
InChIInChI=1S/C14H13F4NO/c1-2-12(13-4-3-7-20-13)19-9-5-6-11(15)10(8-9)14(16,17)18/h3-8,12,19H,2H2,1H3
InChIKeyVPJDJKQKLDZAHR-UHFFFAOYSA-N
XLogP5.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.26
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline (CID 62632909) is 4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline is CCC(Nc1ccc(F)c(C(F)(F)F)c1)c1ccco1.
What is the InChIKey of 4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline?
The InChIKey is VPJDJKQKLDZAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NO/c1-2-12(13-4-3-7-20-13)19-9-5-6-11(15)10(8-9)14(16,17)18/h3-8,12,19H,2H2,1H3.
What are the key properties of 4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline?
4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline has a molecular weight of 287.26 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 62632909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).