[3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine

C12H11F2NOS — CID 63807966

IUPAC[3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine
SMILESNCc1cc(F)c(SCc2ccco2)c(F)c1
InChIInChI=1S/C12H11F2NOS/c13-10-4-8(6-15)5-11(14)12(10)17-7-9-2-1-3-16-9/h1-5H,6-7,15H2
InChIKeyHMACUYFTSFXBJV-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.31
Rot. Bonds4

About [3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine

[3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine (PubChem CID 63807966) has the molecular formula C12H11F2NOS and a molecular weight of 255.29 g/mol. Its IUPAC name is [3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine
PubChem CID63807966
Molecular FormulaC12H11F2NOS
Molecular Weight255.29 g/mol
Exact Mass255.05
IUPAC Name[3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine
SMILESNCc1cc(F)c(SCc2ccco2)c(F)c1
InChIInChI=1S/C12H11F2NOS/c13-10-4-8(6-15)5-11(14)12(10)17-7-9-2-1-3-16-9/h1-5H,6-7,15H2
InChIKeyHMACUYFTSFXBJV-UHFFFAOYSA-N
XLogP3.31
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Furan-2-ylmethyl-(4-methylsulfanyl-benzyl)-amine
CID 1090541
N-(furan-2-ylmethyl)-2-(4-methylphenyl)sulfanylethanamine
CID 2994263
3-Amino-4-(4-fluorophenyl)-1-(furan-2-ylmethylsulfanyl)butan-2-one
CID 19933071
N-tosylfurfurylimine
CID 129875945
2-(4-Fluoro-3-methylphenyl)sulfonyl-2-(furan-2-yl)ethanamine
CID 16642496
N-(furan-2-ylmethyl)-1-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 16775123
4-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
CID 17746779
3,5-difluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
CID 18113719
3-fluoro-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
CID 18113758
4-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide
CID 18275099
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 22829750
1-[(4-Fluorophenyl)methyl]-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 24234906

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine?
The IUPAC name of [3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine (CID 63807966) is [3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine?
The canonical SMILES for [3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine is NCc1cc(F)c(SCc2ccco2)c(F)c1.
What is the InChIKey of [3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine?
The InChIKey is HMACUYFTSFXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NOS/c13-10-4-8(6-15)5-11(14)12(10)17-7-9-2-1-3-16-9/h1-5H,6-7,15H2.
What are the key properties of [3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine?
[3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine has a molecular weight of 255.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 63807966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).