2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide

C9H6F13NO2 — CID 139724210

IUPAC2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide
SMILESNC(=O)C(F)(F)C(F)C(COC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F13NO2/c10-3(5(11,12)4(23)24)2(6(13,14)15)1-25-7(16,8(17,18)19)9(20,21)22/h2-3H,1H2,(H2,23,24)
InChIKeySANIXASJFPHOMQ-UHFFFAOYSA-N
MW407.13 g/mol
LogP3.43
Rot. Bonds6

About 2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide

2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide (PubChem CID 139724210) has the molecular formula C9H6F13NO2 and a molecular weight of 407.13 g/mol. Its IUPAC name is 2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide.

Molecular Properties

Compound Name2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide
PubChem CID139724210
Molecular FormulaC9H6F13NO2
Molecular Weight407.13 g/mol
Exact Mass407.02
IUPAC Name2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide
SMILESNC(=O)C(F)(F)C(F)C(COC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6F13NO2/c10-3(5(11,12)4(23)24)2(6(13,14)15)1-25-7(16,8(17,18)19)9(20,21)22/h2-3H,1H2,(H2,23,24)
InChIKeySANIXASJFPHOMQ-UHFFFAOYSA-N
XLogP3.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.13
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide?
The IUPAC name of 2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide (CID 139724210) is 2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide.
What is the SMILES notation for 2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide?
The canonical SMILES for 2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide is NC(=O)C(F)(F)C(F)C(COC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide?
The InChIKey is SANIXASJFPHOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F13NO2/c10-3(5(11,12)4(23)24)2(6(13,14)15)1-25-7(16,8(17,18)19)9(20,21)22/h2-3H,1H2,(H2,23,24).
What are the key properties of 2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide?
2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide has a molecular weight of 407.13 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide is sourced from PubChem (CID 139724210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).