trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine

C9H9F6NS — CID 102101183

IUPACtrans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine
SMILESN[C@H]1C[C@]1(F)c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C9H9F6NS/c10-9(5-8(9)16)6-1-3-7(4-2-6)17(11,12,13,14)15/h1-4,8H,5,16H2/t8-,9-/m0/s1
InChIKeyKMZXDKFYIFLKNO-IUCAKERBSA-N
MW277.23 g/mol
LogP4.24
Rot. Bonds2

About trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine

trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine (PubChem CID 102101183) has the molecular formula C9H9F6NS and a molecular weight of 277.23 g/mol. Its IUPAC name is trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine
PubChem CID102101183
Molecular FormulaC9H9F6NS
Molecular Weight277.23 g/mol
Exact Mass277.04
IUPAC Nametrans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine
SMILESN[C@H]1C[C@]1(F)c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C9H9F6NS/c10-9(5-8(9)16)6-1-3-7(4-2-6)17(11,12,13,14)15/h1-4,8H,5,16H2/t8-,9-/m0/s1
InChIKeyKMZXDKFYIFLKNO-IUCAKERBSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine?
The IUPAC name of trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine (CID 102101183) is trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine is N[C@H]1C[C@]1(F)c1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine?
The InChIKey is KMZXDKFYIFLKNO-IUCAKERBSA-N. The full InChI is InChI=1S/C9H9F6NS/c10-9(5-8(9)16)6-1-3-7(4-2-6)17(11,12,13,14)15/h1-4,8H,5,16H2/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine?
trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine has a molecular weight of 277.23 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 102101183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).