4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol

C11H14F6N2O — CID 103312535

IUPAC4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol
SMILESCC(C)n1ccc(CC(O)C(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C11H14F6N2O/c1-6(2)19-4-3-7(18-19)5-8(20)9(10(12,13)14)11(15,16)17/h3-4,6,8-9,20H,5H2,1-2H3
InChIKeyRTMSIPFVYXZNIY-UHFFFAOYSA-N
MW304.23 g/mol
LogP3.11
Rot. Bonds4

About 4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol

4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol (PubChem CID 103312535) has the molecular formula C11H14F6N2O and a molecular weight of 304.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol
PubChem CID103312535
Molecular FormulaC11H14F6N2O
Molecular Weight304.23 g/mol
Exact Mass304.10
IUPAC Name4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol
SMILESCC(C)n1ccc(CC(O)C(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C11H14F6N2O/c1-6(2)19-4-3-7(18-19)5-8(20)9(10(12,13)14)11(15,16)17/h3-4,6,8-9,20H,5H2,1-2H3
InChIKeyRTMSIPFVYXZNIY-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol (CID 103312535) is 4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol is CC(C)n1ccc(CC(O)C(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol?
The InChIKey is RTMSIPFVYXZNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6N2O/c1-6(2)19-4-3-7(18-19)5-8(20)9(10(12,13)14)11(15,16)17/h3-4,6,8-9,20H,5H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol?
4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol has a molecular weight of 304.23 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 103312535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).