2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide

C11H12F9NO2 — CID 150741496

IUPAC2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide
SMILESO=C(NC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C11H12F9NO2/c12-9(13,14)7(22)21-6-3-1-5(2-4-6)8(23,10(15,16)17)11(18,19)20/h5-6,23H,1-4H2,(H,21,22)
InChIKeyJTYHXSMUYCXWJT-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.08
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide

2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide (PubChem CID 150741496) has the molecular formula C11H12F9NO2 and a molecular weight of 361.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide
PubChem CID150741496
Molecular FormulaC11H12F9NO2
Molecular Weight361.20 g/mol
Exact Mass361.07
IUPAC Name2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide
SMILESO=C(NC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C11H12F9NO2/c12-9(13,14)7(22)21-6-3-1-5(2-4-6)8(23,10(15,16)17)11(18,19)20/h5-6,23H,1-4H2,(H,21,22)
InChIKeyJTYHXSMUYCXWJT-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide (CID 150741496) is 2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide is O=C(NC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide?
The InChIKey is JTYHXSMUYCXWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F9NO2/c12-9(13,14)7(22)21-6-3-1-5(2-4-6)8(23,10(15,16)17)11(18,19)20/h5-6,23H,1-4H2,(H,21,22).
What are the key properties of 2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide?
2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide has a molecular weight of 361.20 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 150741496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).