4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide

C12H7F10NO2 — CID 174958340

IUPAC4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)F)c1C(=O)NO
InChIInChI=1S/C12H7F10NO2/c1-4-2-5(9(13,11(17,18)19)12(20,21)22)3-6(10(14,15)16)7(4)8(24)23-25/h2-3,25H,1H3,(H,23,24)
InChIKeyKIELSQMNLREOGN-UHFFFAOYSA-N
MW387.17 g/mol
LogP4.42
Rot. Bonds2

About 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide

4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide (PubChem CID 174958340) has the molecular formula C12H7F10NO2 and a molecular weight of 387.17 g/mol. Its IUPAC name is 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide
PubChem CID174958340
Molecular FormulaC12H7F10NO2
Molecular Weight387.17 g/mol
Exact Mass387.03
IUPAC Name4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide
SMILESCc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)F)c1C(=O)NO
InChIInChI=1S/C12H7F10NO2/c1-4-2-5(9(13,11(17,18)19)12(20,21)22)3-6(10(14,15)16)7(4)8(24)23-25/h2-3,25H,1H3,(H,23,24)
InChIKeyKIELSQMNLREOGN-UHFFFAOYSA-N
XLogP4.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.17
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-fluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethyl)phenyl]benzamide
CID 89104206
2-ethynyl-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyl-3-(trifluoromethyl)benzene
CID 118064857
N-(3-aminophenyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylbenzamide
CID 86640288
dioxomanganese;1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanol;1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]ethanone;methane
CID 158482600
2-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]-4,6-bis(trifluoromethyl)benzamide
CID 58062892
2,6-dimethyl-4-(trifluoromethyl)benzoic acid
CID 58167769
3-benzamido-2-fluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethyl)phenyl]benzamide
CID 162620992
[3-[[3-(carboxyamino)-2-fluorobenzoyl]-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethyl)phenyl]carbamoyl]-2-fluorophenyl]carbamic acid
CID 156509559
4-chloro-2-methyl-6-(trifluoromethyl)benzamide
CID 171004117
bis[2-methyl-3,5-bis(trifluoromethyl)phenyl]methanone
CID 139698506
1,3-dibromo-5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 91107676
N-[4-bromo-3-(trifluoromethyl)phenyl]-2,4,6-trimethylbenzamide
CID 2421792

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide?
The IUPAC name of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide (CID 174958340) is 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide is Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C(F)(F)F)c1C(=O)NO.
What is the InChIKey of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide?
The InChIKey is KIELSQMNLREOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F10NO2/c1-4-2-5(9(13,11(17,18)19)12(20,21)22)3-6(10(14,15)16)7(4)8(24)23-25/h2-3,25H,1H3,(H,23,24).
What are the key properties of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide?
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide has a molecular weight of 387.17 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxy-2-methyl-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 174958340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).