N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide

C11H9F14NO3 — CID 175460953

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide
SMILESCC(CO)(CO)N(F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F14NO3/c1-5(2-27,3-28)26(25)4(29)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h27-28H,2-3H2,1H3
InChIKeyJHOUUONBSFMKGY-UHFFFAOYSA-N
MW469.17 g/mol
LogP3.18
Rot. Bonds8

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide (PubChem CID 175460953) has the molecular formula C11H9F14NO3 and a molecular weight of 469.17 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide
PubChem CID175460953
Molecular FormulaC11H9F14NO3
Molecular Weight469.17 g/mol
Exact Mass469.04
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide
SMILESCC(CO)(CO)N(F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F14NO3/c1-5(2-27,3-28)26(25)4(29)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h27-28H,2-3H2,1H3
InChIKeyJHOUUONBSFMKGY-UHFFFAOYSA-N
XLogP3.18
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.17
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide (CID 175460953) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide is CC(CO)(CO)N(F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide?
The InChIKey is JHOUUONBSFMKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F14NO3/c1-5(2-27,3-28)26(25)4(29)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h27-28H,2-3H2,1H3.
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide has a molecular weight of 469.17 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-N,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptanamide is sourced from PubChem (CID 175460953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).