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

C17H13F6NO2 — CID 10362210

IUPACN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide
SMILESO=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)C1CC1
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)15(26,17(21,22)23)12-8-7-9-3-1-2-4-11(9)13(12)24-14(25)10-5-6-10/h1-4,7-8,10,26H,5-6H2,(H,24,25)
InChIKeyKCAQQXULGXEZEX-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.50
Rot. Bonds3

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

N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide (PubChem CID 10362210) has the molecular formula C17H13F6NO2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide
PubChem CID10362210
Molecular FormulaC17H13F6NO2
Molecular Weight377.28 g/mol
Exact Mass377.09
IUPAC NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide
SMILESO=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)C1CC1
InChIInChI=1S/C17H13F6NO2/c18-16(19,20)15(26,17(21,22)23)12-8-7-9-3-1-2-4-11(9)13(12)24-14(25)10-5-6-10/h1-4,7-8,10,26H,5-6H2,(H,24,25)
InChIKeyKCAQQXULGXEZEX-UHFFFAOYSA-N
XLogP4.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.50
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]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide (CID 10362210) is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide is O=C(Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12)C1CC1.
What is the InChIKey of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide?
The InChIKey is KCAQQXULGXEZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO2/c18-16(19,20)15(26,17(21,22)23)12-8-7-9-3-1-2-4-11(9)13(12)24-14(25)10-5-6-10/h1-4,7-8,10,26H,5-6H2,(H,24,25).
What are the key properties of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide?
N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]cyclopropanecarboxamide has a molecular weight of 377.28 g/mol, XLogP of 4.50, 3 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]cyclopropanecarboxamide is sourced from PubChem (CID 10362210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).