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

C13H13ClFNO — CID 62632711

IUPAC4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1ccc(Cl)cc1F)c1ccco1
InChIInChI=1S/C13H13ClFNO/c1-2-11(13-4-3-7-17-13)16-12-6-5-9(14)8-10(12)15/h3-8,11,16H,2H2,1H3
InChIKeyUTZXMKLJOVGYTJ-UHFFFAOYSA-N
MW253.70 g/mol
LogP4.64
Rot. Bonds4

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

4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline (PubChem CID 62632711) has the molecular formula C13H13ClFNO and a molecular weight of 253.70 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
PubChem CID62632711
Molecular FormulaC13H13ClFNO
Molecular Weight253.70 g/mol
Exact Mass253.07
IUPAC Name4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1ccc(Cl)cc1F)c1ccco1
InChIInChI=1S/C13H13ClFNO/c1-2-11(13-4-3-7-17-13)16-12-6-5-9(14)8-10(12)15/h3-8,11,16H,2H2,1H3
InChIKeyUTZXMKLJOVGYTJ-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

2-fluoro-N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62631841
3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 107364032
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611
N-(4-chloro-2-methylphenyl)-1-(furan-2-yl)ethane-1,2-diamine
CID 82131521
5-bromo-2-chloro-N-[1-(furan-2-yl)propyl]pyridin-3-amine
CID 114051949
4-bromo-N-[1-(furan-2-yl)propyl]-2-(trifluoromethyl)aniline
CID 63450598
4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 62632909
3-fluoro-5-[1-(furan-2-yl)propylamino]-4-methylbenzonitrile
CID 62632000
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline
CID 63434581
4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
CID 81292021
N-[2-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 55097343

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline?
The IUPAC name of 4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline (CID 62632711) is 4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline is CCC(Nc1ccc(Cl)cc1F)c1ccco1.
What is the InChIKey of 4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline?
The InChIKey is UTZXMKLJOVGYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO/c1-2-11(13-4-3-7-17-13)16-12-6-5-9(14)8-10(12)15/h3-8,11,16H,2H2,1H3.
What are the key properties of 4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline?
4-chloro-2-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 4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline is sourced from PubChem (CID 62632711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).