ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide

C11H16F6NO- — CID 154457890

IUPACethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide
SMILESCC[N-]C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H16F6NO/c1-2-18-8-5-3-7(4-6-8)9(19,10(12,13)14)11(15,16)17/h7-8,19H,2-6H2,1H3/q-1
InChIKeyXKJKQVBJDODIMK-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.79
Rot. Bonds3

About ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide

ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide (PubChem CID 154457890) has the molecular formula C11H16F6NO- and a molecular weight of 292.24 g/mol. Its IUPAC name is ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide.

Molecular Properties

Compound Nameethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide
PubChem CID154457890
Molecular FormulaC11H16F6NO-
Molecular Weight292.24 g/mol
Exact Mass292.11
IUPAC Nameethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide
SMILESCC[N-]C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H16F6NO/c1-2-18-8-5-3-7(4-6-8)9(19,10(12,13)14)11(15,16)17/h7-8,19H,2-6H2,1H3/q-1
InChIKeyXKJKQVBJDODIMK-UHFFFAOYSA-N
XLogP3.79
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide?
The IUPAC name of ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide (CID 154457890) is ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide.
What is the SMILES notation for ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide?
The canonical SMILES for ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide is CC[N-]C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide?
The InChIKey is XKJKQVBJDODIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6NO/c1-2-18-8-5-3-7(4-6-8)9(19,10(12,13)14)11(15,16)17/h7-8,19H,2-6H2,1H3/q-1.
What are the key properties of ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide?
ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide has a molecular weight of 292.24 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]azanide is sourced from PubChem (CID 154457890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).