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

C17H15F6NO2 — CID 86590042

IUPAC2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide
SMILESCCC(C(N)=O)c1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C17H15F6NO2/c1-2-10(14(24)25)13-11-6-4-3-5-9(11)7-8-12(13)15(26,16(18,19)20)17(21,22)23/h3-8,10,26H,2H2,1H3,(H2,24,25)
InChIKeyXTVQWMONSUIYKS-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.13
Rot. Bonds4

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

2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide (PubChem CID 86590042) has the molecular formula C17H15F6NO2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide.

Molecular Properties

Compound Name2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide
PubChem CID86590042
Molecular FormulaC17H15F6NO2
Molecular Weight379.30 g/mol
Exact Mass379.10
IUPAC Name2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide
SMILESCCC(C(N)=O)c1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C17H15F6NO2/c1-2-10(14(24)25)13-11-6-4-3-5-9(11)7-8-12(13)15(26,16(18,19)20)17(21,22)23/h3-8,10,26H,2H2,1H3,(H2,24,25)
InChIKeyXTVQWMONSUIYKS-UHFFFAOYSA-N
XLogP4.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide?
The IUPAC name of 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide (CID 86590042) is 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide.
What is the SMILES notation for 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide?
The canonical SMILES for 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide is CCC(C(N)=O)c1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide?
The InChIKey is XTVQWMONSUIYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO2/c1-2-10(14(24)25)13-11-6-4-3-5-9(11)7-8-12(13)15(26,16(18,19)20)17(21,22)23/h3-8,10,26H,2H2,1H3,(H2,24,25).
What are the key properties of 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide?
2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide has a molecular weight of 379.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide is sourced from PubChem (CID 86590042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).