2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

C17H11F18NO3 — CID 24844582

IUPAC2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESOCC(c1cc(C(CO)(C(F)(F)F)C(F)(F)F)nc(C(CO)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H11F18NO3/c18-12(19,20)9(3-37,13(21,22)23)6-1-7(10(4-38,14(24,25)26)15(27,28)29)36-8(2-6)11(5-39,16(30,31)32)17(33,34)35/h1-2,37-39H,3-5H2
InChIKeySQHNRKBXICTCDU-UHFFFAOYSA-N
MW619.24 g/mol
LogP5.15
Rot. Bonds6

About 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol

2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (PubChem CID 24844582) has the molecular formula C17H11F18NO3 and a molecular weight of 619.24 g/mol. Its IUPAC name is 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.

Molecular Properties

Compound Name2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
PubChem CID24844582
Molecular FormulaC17H11F18NO3
Molecular Weight619.24 g/mol
Exact Mass619.05
IUPAC Name2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
SMILESOCC(c1cc(C(CO)(C(F)(F)F)C(F)(F)F)nc(C(CO)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H11F18NO3/c18-12(19,20)9(3-37,13(21,22)23)6-1-7(10(4-38,14(24,25)26)15(27,28)29)36-8(2-6)11(5-39,16(30,31)32)17(33,34)35/h1-2,37-39H,3-5H2
InChIKeySQHNRKBXICTCDU-UHFFFAOYSA-N
XLogP5.15
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.24
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The IUPAC name of 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol (CID 24844582) is 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol.
What is the SMILES notation for 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The canonical SMILES for 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is OCC(c1cc(C(CO)(C(F)(F)F)C(F)(F)F)nc(C(CO)(C(F)(F)F)C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
The InChIKey is SQHNRKBXICTCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F18NO3/c18-12(19,20)9(3-37,13(21,22)23)6-1-7(10(4-38,14(24,25)26)15(27,28)29)36-8(2-6)11(5-39,16(30,31)32)17(33,34)35/h1-2,37-39H,3-5H2.
What are the key properties of 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol?
2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol has a molecular weight of 619.24 g/mol, XLogP of 5.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis[1,1,1,3,3,3-hexafluoro-2-(hydroxymethyl)propan-2-yl]-4-pyridinyl]-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol is sourced from PubChem (CID 24844582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).