2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine

C11H24FNS — CID 163788703

IUPAC2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine
SMILESCCC[C@@H](C)C(C)SCC(F)CNC
InChIInChI=1S/C11H24FNS/c1-5-6-9(2)10(3)14-8-11(12)7-13-4/h9-11,13H,5-8H2,1-4H3/t9-,10?,11?/m1/s1
InChIKeyMUUUNDGHCWAWTN-KPPDAEKUSA-N
MW221.38 g/mol
LogP3.10
Rot. Bonds8

About 2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine

2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine (PubChem CID 163788703) has the molecular formula C11H24FNS and a molecular weight of 221.38 g/mol. Its IUPAC name is 2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine
PubChem CID163788703
Molecular FormulaC11H24FNS
Molecular Weight221.38 g/mol
Exact Mass221.16
IUPAC Name2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine
SMILESCCC[C@@H](C)C(C)SCC(F)CNC
InChIInChI=1S/C11H24FNS/c1-5-6-9(2)10(3)14-8-11(12)7-13-4/h9-11,13H,5-8H2,1-4H3/t9-,10?,11?/m1/s1
InChIKeyMUUUNDGHCWAWTN-KPPDAEKUSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine?
The IUPAC name of 2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine (CID 163788703) is 2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine.
What is the SMILES notation for 2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine?
The canonical SMILES for 2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine is CCC[C@@H](C)C(C)SCC(F)CNC.
What is the InChIKey of 2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine?
The InChIKey is MUUUNDGHCWAWTN-KPPDAEKUSA-N. The full InChI is InChI=1S/C11H24FNS/c1-5-6-9(2)10(3)14-8-11(12)7-13-4/h9-11,13H,5-8H2,1-4H3/t9-,10?,11?/m1/s1.
What are the key properties of 2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine?
2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine has a molecular weight of 221.38 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine is sourced from PubChem (CID 163788703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).