[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone

C14H13F6NO2 — CID 10132088

IUPAC[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C14H13F6NO2/c15-13(16,17)12(23,14(18,19)20)10-5-3-9(4-6-10)11(22)21-7-1-2-8-21/h3-6,23H,1-2,7-8H2
InChIKeyDZPRZIZTCNWQFO-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.23
Rot. Bonds2

About [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone

[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 10132088) has the molecular formula C14H13F6NO2 and a molecular weight of 341.25 g/mol. Its IUPAC name is [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID10132088
Molecular FormulaC14H13F6NO2
Molecular Weight341.25 g/mol
Exact Mass341.09
IUPAC Name[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C14H13F6NO2/c15-13(16,17)12(23,14(18,19)20)10-5-3-9(4-6-10)11(22)21-7-1-2-8-21/h3-6,23H,1-2,7-8H2
InChIKeyDZPRZIZTCNWQFO-UHFFFAOYSA-N
XLogP3.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 10132088) is [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCCC1.
What is the InChIKey of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is DZPRZIZTCNWQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6NO2/c15-13(16,17)12(23,14(18,19)20)10-5-3-9(4-6-10)11(22)21-7-1-2-8-21/h3-6,23H,1-2,7-8H2.
What are the key properties of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 341.25 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10132088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).