N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine

C13H21F2NOS — CID 113237061

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C13H21F2NOS/c1-4-13(3,5-2)16-8-10-6-7-11(17-10)9-18-12(14)15/h6-7,12,16H,4-5,8-9H2,1-3H3
InChIKeyQWRUFPFCOXJNGK-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.40
Rot. Bonds8

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine (PubChem CID 113237061) has the molecular formula C13H21F2NOS and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine
PubChem CID113237061
Molecular FormulaC13H21F2NOS
Molecular Weight277.38 g/mol
Exact Mass277.13
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine
SMILESCCC(C)(CC)NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C13H21F2NOS/c1-4-13(3,5-2)16-8-10-6-7-11(17-10)9-18-12(14)15/h6-7,12,16H,4-5,8-9H2,1-3H3
InChIKeyQWRUFPFCOXJNGK-UHFFFAOYSA-N
XLogP4.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide
CID 61220171
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
CID 82706312
2-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butan-1-ol
CID 64550167
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
CID 113492063
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline
CID 43764511
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,3-dimethylbutan-1-amine
CID 64569884
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 43225249
2,6-dibromo-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-methylaniline
CID 43773554
5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide
CID 65112616
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide
CID 43225480
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylsulfinylethanamine
CID 113237595

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine (CID 113237061) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine is CCC(C)(CC)NCc1ccc(CSC(F)F)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine?
The InChIKey is QWRUFPFCOXJNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NOS/c1-4-13(3,5-2)16-8-10-6-7-11(17-10)9-18-12(14)15/h6-7,12,16H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine has a molecular weight of 277.38 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine is sourced from PubChem (CID 113237061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).