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

C11H13F9NO- — CID 154306041

IUPAC[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide
SMILESOC(C1CCC([N-]CC(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F9NO/c12-8(13,14)5-21-7-3-1-6(2-4-7)9(22,10(15,16)17)11(18,19)20/h6-7,22H,1-5H2/q-1
InChIKeyCTIGDGAUCWLQPL-UHFFFAOYSA-N
MW346.21 g/mol
LogP4.34
Rot. Bonds3

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

[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide (PubChem CID 154306041) has the molecular formula C11H13F9NO- and a molecular weight of 346.21 g/mol. Its IUPAC name is [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide.

Molecular Properties

Compound Name[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide
PubChem CID154306041
Molecular FormulaC11H13F9NO-
Molecular Weight346.21 g/mol
Exact Mass346.09
IUPAC Name[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide
SMILESOC(C1CCC([N-]CC(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F9NO/c12-8(13,14)5-21-7-3-1-6(2-4-7)9(22,10(15,16)17)11(18,19)20/h6-7,22H,1-5H2/q-1
InChIKeyCTIGDGAUCWLQPL-UHFFFAOYSA-N
XLogP4.34
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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)cyclohexyl]-(2,2,2-trifluoroethyl)azanide?
The IUPAC name of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide (CID 154306041) is [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide.
What is the SMILES notation for [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide?
The canonical SMILES for [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide is OC(C1CCC([N-]CC(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide?
The InChIKey is CTIGDGAUCWLQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F9NO/c12-8(13,14)5-21-7-3-1-6(2-4-7)9(22,10(15,16)17)11(18,19)20/h6-7,22H,1-5H2/q-1.
What are the key properties of [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide?
[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide has a molecular weight of 346.21 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-(2,2,2-trifluoroethyl)azanide is sourced from PubChem (CID 154306041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).