2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide

C19H19F6NO2 — CID 10092786

IUPAC2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide
SMILESCCC(CC)C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C19H19F6NO2/c1-3-11(4-2)16(27)26-15-13-8-6-5-7-12(13)9-10-14(15)17(28,18(20,21)22)19(23,24)25/h5-11,28H,3-4H2,1-2H3,(H,26,27)
InChIKeyHPWHAGLBTGTEIO-UHFFFAOYSA-N
MW407.35 g/mol
LogP5.53
Rot. Bonds5

About 2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide

2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide (PubChem CID 10092786) has the molecular formula C19H19F6NO2 and a molecular weight of 407.35 g/mol. Its IUPAC name is 2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide
PubChem CID10092786
Molecular FormulaC19H19F6NO2
Molecular Weight407.35 g/mol
Exact Mass407.13
IUPAC Name2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide
SMILESCCC(CC)C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C19H19F6NO2/c1-3-11(4-2)16(27)26-15-13-8-6-5-7-12(13)9-10-14(15)17(28,18(20,21)22)19(23,24)25/h5-11,28H,3-4H2,1-2H3,(H,26,27)
InChIKeyHPWHAGLBTGTEIO-UHFFFAOYSA-N
XLogP5.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.35
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide (CID 10092786) is 2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide is CCC(CC)C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of 2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide?
The InChIKey is HPWHAGLBTGTEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6NO2/c1-3-11(4-2)16(27)26-15-13-8-6-5-7-12(13)9-10-14(15)17(28,18(20,21)22)19(23,24)25/h5-11,28H,3-4H2,1-2H3,(H,26,27).
What are the key properties of 2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide?
2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide has a molecular weight of 407.35 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide is sourced from PubChem (CID 10092786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).