2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline

C14H15F2NOS — CID 62631784

IUPAC2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1ccccc1SC(F)F)c1ccco1
InChIInChI=1S/C14H15F2NOS/c1-2-10(12-7-5-9-18-12)17-11-6-3-4-8-13(11)19-14(15)16/h3-10,14,17H,2H2,1H3
InChIKeyPZICWRQWZOXTTH-UHFFFAOYSA-N
MW283.34 g/mol
LogP5.16
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline

2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline (PubChem CID 62631784) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline
PubChem CID62631784
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1ccccc1SC(F)F)c1ccco1
InChIInChI=1S/C14H15F2NOS/c1-2-10(12-7-5-9-18-12)17-11-6-3-4-8-13(11)19-14(15)16/h3-10,14,17H,2H2,1H3
InChIKeyPZICWRQWZOXTTH-UHFFFAOYSA-N
XLogP5.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.34
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-N-[1-(furan-2-yl)propyl]aniline
CID 62631645
N-[1-(furan-2-yl)propyl]-2-(methoxymethyl)aniline
CID 62631803
2-[2-[1-(furan-2-yl)propylamino]phenyl]acetamide
CID 62632896
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
2-(difluoromethylsulfanyl)-N-(2-methoxy-1-phenylethyl)aniline
CID 103463340
4-bromo-N-[1-(furan-2-yl)propyl]-2-(trifluoromethyl)aniline
CID 63450598
5-bromo-N-[1-(furan-2-yl)propyl]-2-methylaniline
CID 62632359
4-bromo-2-ethyl-N-[1-(furan-2-yl)propyl]aniline
CID 81292021
N-[1-(furan-2-yl)propyl]-2,4-di(propan-2-yl)aniline
CID 63434581
3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62631964
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline (CID 62631784) is 2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline is CCC(Nc1ccccc1SC(F)F)c1ccco1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline?
The InChIKey is PZICWRQWZOXTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-2-10(12-7-5-9-18-12)17-11-6-3-4-8-13(11)19-14(15)16/h3-10,14,17H,2H2,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline?
2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline has a molecular weight of 283.34 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline is sourced from PubChem (CID 62631784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).