3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide

C6H6F7NO2 — CID 139724193

IUPAC3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide
SMILESNC(=O)CCOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F7NO2/c7-4(5(8,9)10,6(11,12)13)16-2-1-3(14)15/h1-2H2,(H2,14,15)
InChIKeySEFLCKCNWXGHMX-UHFFFAOYSA-N
MW257.10 g/mol
LogP1.67
Rot. Bonds4

About 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide

3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide (PubChem CID 139724193) has the molecular formula C6H6F7NO2 and a molecular weight of 257.10 g/mol. Its IUPAC name is 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide.

Molecular Properties

Compound Name3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide
PubChem CID139724193
Molecular FormulaC6H6F7NO2
Molecular Weight257.10 g/mol
Exact Mass257.03
IUPAC Name3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide
SMILESNC(=O)CCOC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F7NO2/c7-4(5(8,9)10,6(11,12)13)16-2-1-3(14)15/h1-2H2,(H2,14,15)
InChIKeySEFLCKCNWXGHMX-UHFFFAOYSA-N
XLogP1.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

13-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-2-methylidenetridecanoic acid
CID 87196607
3-[(3-amino-3-oxopropoxy)methoxy]propanamide
CID 87272054
ethenol;5-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)pentyl prop-2-enoate
CID 91459836
1,1,1-trichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
CID 151300739
(3-amino-3-oxopropyl) acetate
CID 19981550
2,2,3,5,5,5-hexafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxymethyl)pentanamide
CID 139724210
methyl 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)acetate
CID 86179501
2-(3-bromopropoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 59689354
butanediamide;hydrobromide
CID 158484059
butanediamide;molybdenum
CID 161333962
(4-amino-4-oxobutyl) formate
CID 22928633
3-[3-(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propoxy]propanamide
CID 123809562

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide?
The IUPAC name of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide (CID 139724193) is 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide.
What is the SMILES notation for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide?
The canonical SMILES for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide is NC(=O)CCOC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide?
The InChIKey is SEFLCKCNWXGHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F7NO2/c7-4(5(8,9)10,6(11,12)13)16-2-1-3(14)15/h1-2H2,(H2,14,15).
What are the key properties of 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide?
3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide has a molecular weight of 257.10 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)propanamide is sourced from PubChem (CID 139724193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).