3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline

C13H13ClFNO — CID 107364032

IUPAC3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1cc(F)cc(Cl)c1)c1ccco1
InChIInChI=1S/C13H13ClFNO/c1-2-12(13-4-3-5-17-13)16-11-7-9(14)6-10(15)8-11/h3-8,12,16H,2H2,1H3
InChIKeyKEJRZIZOSUWPFD-UHFFFAOYSA-N
MW253.70 g/mol
LogP4.64
Rot. Bonds4

About 3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline

3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline (PubChem CID 107364032) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline
PubChem CID107364032
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1cc(F)cc(Cl)c1)c1ccco1
InChIInChI=1S/C13H13ClFNO/c1-2-12(13-4-3-5-17-13)16-11-7-9(14)6-10(15)8-11/h3-8,12,16H,2H2,1H3
InChIKeyKEJRZIZOSUWPFD-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
2-[1-(3-chloro-5-fluoroanilino)propyl]phenol
CID 104925443
4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 62632909
4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62633256
3-bromo-N-[1-(furan-2-yl)propyl]-5-methoxyaniline
CID 82858067
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611
N-(3-chloro-5-fluorophenyl)-1-(2-ethylphenyl)ethane-1,2-diamine
CID 107364446
N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 107364552
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 104928554
N-[2-(2-chloro-5-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 102618825
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 55097343

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline?
The IUPAC name of 3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline (CID 107364032) is 3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline is CCC(Nc1cc(F)cc(Cl)c1)c1ccco1.
What is the InChIKey of 3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline?
The InChIKey is KEJRZIZOSUWPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-2-12(13-4-3-5-17-13)16-11-7-9(14)6-10(15)8-11/h3-8,12,16H,2H2,1H3.
What are the key properties of 3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline?
3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline has a molecular weight of 253.70 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline is sourced from PubChem (CID 107364032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).