N-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide

C11H22FNO3 — CID 175460951

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide
SMILESCCCCCCC(=O)N(F)C(C)(CO)CO
InChIInChI=1S/C11H22FNO3/c1-3-4-5-6-7-10(16)13(12)11(2,8-14)9-15/h14-15H,3-9H2,1-2H3
InChIKeyLFNFNSYRAMQKKL-UHFFFAOYSA-N
MW235.30 g/mol
LogP1.41
Rot. Bonds8

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide (PubChem CID 175460951) has the molecular formula C11H22FNO3 and a molecular weight of 235.30 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide
PubChem CID175460951
Molecular FormulaC11H22FNO3
Molecular Weight235.30 g/mol
Exact Mass235.16
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide
SMILESCCCCCCC(=O)N(F)C(C)(CO)CO
InChIInChI=1S/C11H22FNO3/c1-3-4-5-6-7-10(16)13(12)11(2,8-14)9-15/h14-15H,3-9H2,1-2H3
InChIKeyLFNFNSYRAMQKKL-UHFFFAOYSA-N
XLogP1.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', '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-fluoroheptanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide (CID 175460951) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide is CCCCCCC(=O)N(F)C(C)(CO)CO.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide?
The InChIKey is LFNFNSYRAMQKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO3/c1-3-4-5-6-7-10(16)13(12)11(2,8-14)9-15/h14-15H,3-9H2,1-2H3.
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-N-fluoroheptanamide has a molecular weight of 235.30 g/mol, XLogP of 1.41, 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-fluoroheptanamide is sourced from PubChem (CID 175460951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).