1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide

C10H10F5NOS — CID 156893243

IUPAC1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccc(S(F)(F)(F)(F)F)cc2)CC1
InChIInChI=1S/C10H10F5NOS/c11-18(12,13,14,15)8-3-1-7(2-4-8)10(5-6-10)9(16)17/h1-4H,5-6H2,(H2,16,17)
InChIKeyOZLAUMXFGCQISJ-UHFFFAOYSA-N
MW287.25 g/mol
LogP3.86
Rot. Bonds3

About 1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide

1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 156893243) has the molecular formula C10H10F5NOS and a molecular weight of 287.25 g/mol. Its IUPAC name is 1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide
PubChem CID156893243
Molecular FormulaC10H10F5NOS
Molecular Weight287.25 g/mol
Exact Mass287.04
IUPAC Name1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccc(S(F)(F)(F)(F)F)cc2)CC1
InChIInChI=1S/C10H10F5NOS/c11-18(12,13,14,15)8-3-1-7(2-4-8)10(5-6-10)9(16)17/h1-4H,5-6H2,(H2,16,17)
InChIKeyOZLAUMXFGCQISJ-UHFFFAOYSA-N
XLogP3.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide (CID 156893243) is 1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide is NC(=O)C1(c2ccc(S(F)(F)(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is OZLAUMXFGCQISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NOS/c11-18(12,13,14,15)8-3-1-7(2-4-8)10(5-6-10)9(16)17/h1-4H,5-6H2,(H2,16,17).
What are the key properties of 1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide?
1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 287.25 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pentafluoro-λ6-sulfanyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 156893243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).