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

C9H9F6NS — CID 162655950

IUPAC2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine
SMILESNC1CC1(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
InChIKeyKMZXDKFYIFLKNO-UHFFFAOYSA-N
MW277.23 g/mol
LogP4.24
Rot. Bonds2

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

2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine (PubChem CID 162655950) has the molecular formula C9H9F6NS and a molecular weight of 277.23 g/mol. Its IUPAC name is 2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine
PubChem CID162655950
Molecular FormulaC9H9F6NS
Molecular Weight277.23 g/mol
Exact Mass277.04
IUPAC Name2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine
SMILESNC1CC1(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
InChIKeyKMZXDKFYIFLKNO-UHFFFAOYSA-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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Related Compounds

trans-2-Fluoro-2-phenylcyclopropylamin
CID 10374615
(1S,2S)-2-Fluoro-2-phenyl-cyclopropylamine hydrochloride
CID 11252448
cis-2-Fluoro-2-(p-fluorophenyl)cyclopropylamine
CID 25147553
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine
CID 9834068
2-Fluoro-2-phenylcyclopropan-1-amine hydrochloride
CID 45260279
2-Fluoro-2-phenylcyclopropylamine
CID 44296124
trans-2-Fluoro-2-(4-fluorophenyl)cyclopropanamine
CID 11171752
cis-2-(Para-fluorophenyl)cyclopropylamine
CID 11401479
(1S,2R)-2-fluoro-2-phenylcyclopropan-1-amine
CID 11423691
cis-2-Fluoro-2-phenylcyclopropanamine
CID 12098585
1-(3-(Pentafluorosulfanyl)phenyl)propan-2-amine
CID 23643874
trans-2-Fluoro-2-(p-trifluoromethylphenyl)cyclopropylamine
CID 25147685

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine (CID 162655950) is 2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine is NC1CC1(F)c1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine?
The InChIKey is KMZXDKFYIFLKNO-UHFFFAOYSA-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.
What are the key properties of 2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine?
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 2-fluoro-2-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 162655950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).