2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide

C12H20F4N2O4 — CID 98331890

IUPAC2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide
SMILESC[C@H](O)[C@H](C)NC(=O)C(F)(F)C(F)(F)C(=O)N[C@H](C)[C@H](C)O
InChIInChI=1S/C12H20F4N2O4/c1-5(7(3)19)17-9(21)11(13,14)12(15,16)10(22)18-6(2)8(4)20/h5-8,19-20H,1-4H3,(H,17,21)(H,18,22)/t5-,6+,7-,8-/m0/s1
InChIKeyXMMDZZIYJNQNKL-YWIQKCBGSA-N
MW332.29 g/mol
LogP0.03
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide

2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide (PubChem CID 98331890) has the molecular formula C12H20F4N2O4 and a molecular weight of 332.29 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide
PubChem CID98331890
Molecular FormulaC12H20F4N2O4
Molecular Weight332.29 g/mol
Exact Mass332.14
IUPAC Name2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide
SMILESC[C@H](O)[C@H](C)NC(=O)C(F)(F)C(F)(F)C(=O)N[C@H](C)[C@H](C)O
InChIInChI=1S/C12H20F4N2O4/c1-5(7(3)19)17-9(21)11(13,14)12(15,16)10(22)18-6(2)8(4)20/h5-8,19-20H,1-4H3,(H,17,21)(H,18,22)/t5-,6+,7-,8-/m0/s1
InChIKeyXMMDZZIYJNQNKL-YWIQKCBGSA-N
XLogP0.03
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide
CID 130666285
2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide
CID 3089678
2,2-difluoro-N-propan-2-ylpropanamide
CID 130495307
methyl N-(3-hydroxybutan-2-yl)carbamate
CID 20667189
2-fluoro-2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 130683456
2-[[7-(1-carboxyethylamino)-2,2,3,3,4,4,5,5,6,6-decafluoro-7-oxoheptanoyl]amino]propanoic acid
CID 3926618
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
[1-oxo-1-[2-(2,2,2-trifluoroacetyl)hydrazinyl]propan-2-yl]carbamic acid
CID 90425869
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate
CID 3676821
2,2-difluoro-N-(1-hydroxypropan-2-yl)propanamide
CID 126988442
2,2,2-trifluoro-N-(1-iodoethyl)acetamide
CID 22138228
2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
CID 141004071

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide (CID 98331890) is 2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide is C[C@H](O)[C@H](C)NC(=O)C(F)(F)C(F)(F)C(=O)N[C@H](C)[C@H](C)O.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide?
The InChIKey is XMMDZZIYJNQNKL-YWIQKCBGSA-N. The full InChI is InChI=1S/C12H20F4N2O4/c1-5(7(3)19)17-9(21)11(13,14)12(15,16)10(22)18-6(2)8(4)20/h5-8,19-20H,1-4H3,(H,17,21)(H,18,22)/t5-,6+,7-,8-/m0/s1.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide?
2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide has a molecular weight of 332.29 g/mol, XLogP of 0.03, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide is sourced from PubChem (CID 98331890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).