2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide

C11H7F9N2O — CID 170315431

IUPAC2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide
SMILESCC(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H7F9N2O/c1-8(12,13)11(19,20)9(14,15)7(23)22-6-4-5(2-3-21-6)10(16,17)18/h2-4H,1H3,(H,21,22,23)
InChIKeyWHPVJEFQDXEMST-UHFFFAOYSA-N
MW354.17 g/mol
LogP3.96
Rot. Bonds4

About 2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide

2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide (PubChem CID 170315431) has the molecular formula C11H7F9N2O and a molecular weight of 354.17 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide
PubChem CID170315431
Molecular FormulaC11H7F9N2O
Molecular Weight354.17 g/mol
Exact Mass354.04
IUPAC Name2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide
SMILESCC(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C11H7F9N2O/c1-8(12,13)11(19,20)9(14,15)7(23)22-6-4-5(2-3-21-6)10(16,17)18/h2-4H,1H3,(H,21,22,23)
InChIKeyWHPVJEFQDXEMST-UHFFFAOYSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
2-anilino-2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]propanamide
CID 138020244
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
2,2-dimethyl-N-[4-(trichloromethyl)-2-pyridinyl]propanamide
CID 15156839
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
4-bromo-3-(1,1-difluoroethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 86727855
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
N-methyl-4-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 175492104
1-(2-methylsulfanylethyl)-3-[4-(trifluoromethyl)-2-pyridinyl]urea
CID 154798205
3-[methyl-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]amino]propanoic acid
CID 122089428
N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolidine-3-carboxamide
CID 123713117

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide (CID 170315431) is 2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide is CC(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide?
The InChIKey is WHPVJEFQDXEMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F9N2O/c1-8(12,13)11(19,20)9(14,15)7(23)22-6-4-5(2-3-21-6)10(16,17)18/h2-4H,1H3,(H,21,22,23).
What are the key properties of 2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide?
2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide has a molecular weight of 354.17 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-N-[4-(trifluoromethyl)-2-pyridinyl]pentanamide is sourced from PubChem (CID 170315431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).