N-tert-butyl-6-fluorohexanamide

C10H20FNO — CID 155937406

IUPACN-tert-butyl-6-fluorohexanamide
SMILESCC(C)(C)NC(=O)CCCCCF
InChIInChI=1S/C10H20FNO/c1-10(2,3)12-9(13)7-5-4-6-8-11/h4-8H2,1-3H3,(H,12,13)
InChIKeyPEQPTYLAGJBDHF-UHFFFAOYSA-N
MW189.27 g/mol
LogP2.43
Rot. Bonds5

About N-tert-butyl-6-fluorohexanamide

N-tert-butyl-6-fluorohexanamide (PubChem CID 155937406) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is N-tert-butyl-6-fluorohexanamide.

Molecular Properties

Compound NameN-tert-butyl-6-fluorohexanamide
PubChem CID155937406
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC NameN-tert-butyl-6-fluorohexanamide
SMILESCC(C)(C)NC(=O)CCCCCF
InChIInChI=1S/C10H20FNO/c1-10(2,3)12-9(13)7-5-4-6-8-11/h4-8H2,1-3H3,(H,12,13)
InChIKeyPEQPTYLAGJBDHF-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4-Chlorophenyl)ethenyl]-6-methoxy-8-quinolinamine
CID 252521
N-tert-butylhexadecanamide
CID 13213787
Pentanamide, N-tert.-butyl
CID 528625
N-tert-butyloctanamide
CID 4672417
N-(1-fluoro-2-methylpropan-2-yl)butanamide
CID 57872137
5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide
CID 91184762
2-methyl-N-[1-(trifluoromethyl)cyclopropyl]hexanamide
CID 129206853
N-tert-butyl-3-fluorocyclopentane-1-carboxamide
CID 130676017
3-fluoro-N-(3-methylpentan-3-yl)cyclobutane-1-carboxamide
CID 138648462
N-tert-butyl-3-fluorocyclobutane-1-carboxamide
CID 138648463
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 141296696
N-(2-fluoropropan-2-yl)pentanamide
CID 149946468

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-fluorohexanamide?
The IUPAC name of N-tert-butyl-6-fluorohexanamide (CID 155937406) is N-tert-butyl-6-fluorohexanamide.
What is the SMILES notation for N-tert-butyl-6-fluorohexanamide?
The canonical SMILES for N-tert-butyl-6-fluorohexanamide is CC(C)(C)NC(=O)CCCCCF.
What is the InChIKey of N-tert-butyl-6-fluorohexanamide?
The InChIKey is PEQPTYLAGJBDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-10(2,3)12-9(13)7-5-4-6-8-11/h4-8H2,1-3H3,(H,12,13).
What are the key properties of N-tert-butyl-6-fluorohexanamide?
N-tert-butyl-6-fluorohexanamide has a molecular weight of 189.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-fluorohexanamide is sourced from PubChem (CID 155937406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).