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

C14H14F3NO — CID 83960475

IUPACN-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCCCc2ccco2)c1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)11-4-1-5-12(10-11)18-8-2-6-13-7-3-9-19-13/h1,3-5,7,9-10,18H,2,6,8H2
InChIKeyQGSKDCDFSLWSDI-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.34
Rot. Bonds5

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

N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline (PubChem CID 83960475) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
PubChem CID83960475
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC NameN-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCCCc2ccco2)c1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)11-4-1-5-12(10-11)18-8-2-6-13-7-3-9-19-13/h1,3-5,7,9-10,18H,2,6,8H2
InChIKeyQGSKDCDFSLWSDI-UHFFFAOYSA-N
XLogP4.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.34
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

3-(aminomethyl)-N-[3-(furan-2-yl)propyl]aniline
CID 83962080
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 8762528
N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042
N-heptyl-3-(trifluoromethyl)aniline
CID 4711840
N-octyl-3-(trifluoromethyl)aniline
CID 43129188
3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 61469743
3-N-(furan-2-ylmethyl)-5-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112947460
N-hept-6-enyl-3-(trifluoromethyl)aniline
CID 107006422
3-[3-(trifluoromethyl)anilino]propane-1-sulfonic acid
CID 134094897
N-(4-fluorophenyl)-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54806053
N-(furan-2-ylmethyl)-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833538
N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride
CID 71444012

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline (CID 83960475) is N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NCCCc2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline?
The InChIKey is QGSKDCDFSLWSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c15-14(16,17)11-4-1-5-12(10-11)18-8-2-6-13-7-3-9-19-13/h1,3-5,7,9-10,18H,2,6,8H2.
What are the key properties of N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline?
N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline has a molecular weight of 269.27 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 83960475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).