4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide

C8H10ClF6NO2 — CID 3101689

IUPAC4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide
SMILESCCC(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8H10ClF6NO2/c1-2-4(3-17)16-5(18)6(10,11)7(12,13)8(9,14)15/h4,17H,2-3H2,1H3,(H,16,18)
InChIKeyZNBRPSDGONUTHN-UHFFFAOYSA-N
MW301.61 g/mol
LogP1.98
Rot. Bonds6

About 4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide

4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide (PubChem CID 3101689) has the molecular formula C8H10ClF6NO2 and a molecular weight of 301.61 g/mol. Its IUPAC name is 4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide.

Molecular Properties

Compound Name4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide
PubChem CID3101689
Molecular FormulaC8H10ClF6NO2
Molecular Weight301.61 g/mol
Exact Mass301.03
IUPAC Name4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide
SMILESCCC(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8H10ClF6NO2/c1-2-4(3-17)16-5(18)6(10,11)7(12,13)8(9,14)15/h4,17H,2-3H2,1H3,(H,16,18)
InChIKeyZNBRPSDGONUTHN-UHFFFAOYSA-N
XLogP1.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.61
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-(1-hydroxybutan-2-yl)propanamide
CID 103944341
2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 105342996
2-[(4-chloro-2,2,3,3,4,4-hexafluorobutanoyl)amino]hexanoic acid
CID 3548401
2-(ethylamino)-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropanamide
CID 107221411
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide
CID 105342956
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
N-butan-2-yl-2-[[1-(1-hydroxybutan-2-ylamino)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide
CID 143297448
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
8-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-N-methyloctanamide
CID 3450851
methyl (3R)-3-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 131853056
N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 104580731

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide?
The IUPAC name of 4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide (CID 3101689) is 4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide.
What is the SMILES notation for 4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide?
The canonical SMILES for 4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide is CCC(CO)NC(=O)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide?
The InChIKey is ZNBRPSDGONUTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF6NO2/c1-2-4(3-17)16-5(18)6(10,11)7(12,13)8(9,14)15/h4,17H,2-3H2,1H3,(H,16,18).
What are the key properties of 4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide?
4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide has a molecular weight of 301.61 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,2,3,3,4,4-hexafluoro-N-(1-hydroxybutan-2-yl)butanamide is sourced from PubChem (CID 3101689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).