N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide

C19H19F6NO2 — CID 10476467

IUPACN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C19H19F6NO2/c1-11(2)7-10-15(27)26-16-13-6-4-3-5-12(13)8-9-14(16)17(28,18(20,21)22)19(23,24)25/h3-6,8-9,11,28H,7,10H2,1-2H3,(H,26,27)
InChIKeyRZELQLWNPGHRCA-UHFFFAOYSA-N
MW407.35 g/mol
LogP5.53
Rot. Bonds5

About N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide

N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide (PubChem CID 10476467) has the molecular formula C19H19F6NO2 and a molecular weight of 407.35 g/mol. Its IUPAC name is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide
PubChem CID10476467
Molecular FormulaC19H19F6NO2
Molecular Weight407.35 g/mol
Exact Mass407.13
IUPAC NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C19H19F6NO2/c1-11(2)7-10-15(27)26-16-13-6-4-3-5-12(13)8-9-14(16)17(28,18(20,21)22)19(23,24)25/h3-6,8-9,11,28H,7,10H2,1-2H3,(H,26,27)
InChIKeyRZELQLWNPGHRCA-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 N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide?
The IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide (CID 10476467) is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide.
What is the SMILES notation for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide?
The canonical SMILES for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide is CC(C)CCC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide?
The InChIKey is RZELQLWNPGHRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6NO2/c1-11(2)7-10-15(27)26-16-13-6-4-3-5-12(13)8-9-14(16)17(28,18(20,21)22)19(23,24)25/h3-6,8-9,11,28H,7,10H2,1-2H3,(H,26,27).
What are the key properties of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide?
N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide 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 N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-methylpentanamide is sourced from PubChem (CID 10476467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).