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

C14H14F3NO2 — CID 62633256

IUPAC4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1ccc(OC(F)F)c(F)c1)c1ccco1
InChIInChI=1S/C14H14F3NO2/c1-2-11(13-4-3-7-19-13)18-9-5-6-12(10(15)8-9)20-14(16)17/h3-8,11,14,18H,2H2,1H3
InChIKeyKLSUJGRQDOKLFC-UHFFFAOYSA-N
MW285.26 g/mol
LogP4.58
Rot. Bonds6

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

4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline (PubChem CID 62633256) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline
PubChem CID62633256
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1ccc(OC(F)F)c(F)c1)c1ccco1
InChIInChI=1S/C14H14F3NO2/c1-2-11(13-4-3-7-19-13)18-9-5-6-12(10(15)8-9)20-14(16)17/h3-8,11,14,18H,2H2,1H3
InChIKeyKLSUJGRQDOKLFC-UHFFFAOYSA-N
XLogP4.58
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63084467
4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 62632909
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 107364032
2-[4-(difluoromethoxy)-3-fluoroanilino]butanoic acid
CID 115353116
4-(difluoromethoxy)-3-fluoro-N-propylaniline
CID 60942479
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
N-[1-(furan-2-yl)propyl]-4-(2,2,2-trifluoroethoxy)aniline
CID 62633976
4-(difluoromethoxy)-3-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115743230
methyl 3-[1-(furan-2-yl)propylamino]benzoate
CID 62632863
4-(difluoromethoxy)-3-fluoro-N-octylaniline
CID 63449455
4-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62633253

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline?
The IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline (CID 62633256) is 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline.
What is the SMILES notation for 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline?
The canonical SMILES for 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline is CCC(Nc1ccc(OC(F)F)c(F)c1)c1ccco1.
What is the InChIKey of 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline?
The InChIKey is KLSUJGRQDOKLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-2-11(13-4-3-7-19-13)18-9-5-6-12(10(15)8-9)20-14(16)17/h3-8,11,14,18H,2H2,1H3.
What are the key properties of 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline?
4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline has a molecular weight of 285.26 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline is sourced from PubChem (CID 62633256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).