2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C19H16F7NO3S — CID 118220798

IUPAC2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNC1CC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H16F7NO3S/c20-13-5-7-15(8-6-13)31(29,30)16(9-14(27)10-16)11-1-3-12(4-2-11)17(28,18(21,22)23)19(24,25)26/h1-8,14,28H,9-10,27H2
InChIKeyUCOCWJBBWQHRRF-UHFFFAOYSA-N
MW471.39 g/mol
LogP3.93
Rot. Bonds4

About 2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 118220798) has the molecular formula C19H16F7NO3S and a molecular weight of 471.39 g/mol. Its IUPAC name is 2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID118220798
Molecular FormulaC19H16F7NO3S
Molecular Weight471.39 g/mol
Exact Mass471.07
IUPAC Name2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNC1CC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H16F7NO3S/c20-13-5-7-15(8-6-13)31(29,30)16(9-14(27)10-16)11-1-3-12(4-2-11)17(28,18(21,22)23)19(24,25)26/h1-8,14,28H,9-10,27H2
InChIKeyUCOCWJBBWQHRRF-UHFFFAOYSA-N
XLogP3.93
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 118220798) is 2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is NC1CC(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is UCOCWJBBWQHRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F7NO3S/c20-13-5-7-15(8-6-13)31(29,30)16(9-14(27)10-16)11-1-3-12(4-2-11)17(28,18(21,22)23)19(24,25)26/h1-8,14,28H,9-10,27H2.
What are the key properties of 2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 471.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-amino-1-(4-fluorophenyl)sulfonylcyclobutyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 118220798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).