4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide

C18H23F6NO2 — CID 10200929

IUPAC4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C18H23F6NO2/c1-11(2)9-25(10-12(3)4)15(26)13-5-7-14(8-6-13)16(27,17(19,20)21)18(22,23)24/h5-8,11-12,27H,9-10H2,1-4H3
InChIKeyQFZFGUSKKOKRRM-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.75
Rot. Bonds6

About 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide (PubChem CID 10200929) has the molecular formula C18H23F6NO2 and a molecular weight of 399.38 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide
PubChem CID10200929
Molecular FormulaC18H23F6NO2
Molecular Weight399.38 g/mol
Exact Mass399.16
IUPAC Name4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide
SMILESCC(C)CN(CC(C)C)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C18H23F6NO2/c1-11(2)9-25(10-12(3)4)15(26)13-5-7-14(8-6-13)16(27,17(19,20)21)18(22,23)24/h5-8,11-12,27H,9-10H2,1-4H3
InChIKeyQFZFGUSKKOKRRM-UHFFFAOYSA-N
XLogP4.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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)-N,N-bis(2-methylpropyl)benzamide?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide (CID 10200929) is 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide is CC(C)CN(CC(C)C)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide?
The InChIKey is QFZFGUSKKOKRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F6NO2/c1-11(2)9-25(10-12(3)4)15(26)13-5-7-14(8-6-13)16(27,17(19,20)21)18(22,23)24/h5-8,11-12,27H,9-10H2,1-4H3.
What are the key properties of 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide?
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide has a molecular weight of 399.38 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 10200929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).