5-fluoro-5-methylhexanamide

C7H14FNO — CID 164887824

IUPAC5-fluoro-5-methylhexanamide
SMILESCC(C)(F)CCCC(N)=O
InChIInChI=1S/C7H14FNO/c1-7(2,8)5-3-4-6(9)10/h3-5H2,1-2H3,(H2,9,10)
InChIKeyKJDXASHALSEHOT-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.39
Rot. Bonds4

About 5-fluoro-5-methylhexanamide

5-fluoro-5-methylhexanamide (PubChem CID 164887824) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 5-fluoro-5-methylhexanamide.

Molecular Properties

Compound Name5-fluoro-5-methylhexanamide
PubChem CID164887824
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name5-fluoro-5-methylhexanamide
SMILESCC(C)(F)CCCC(N)=O
InChIInChI=1S/C7H14FNO/c1-7(2,8)5-3-4-6(9)10/h3-5H2,1-2H3,(H2,9,10)
InChIKeyKJDXASHALSEHOT-UHFFFAOYSA-N
XLogP1.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-methylhexanamide?
The IUPAC name of 5-fluoro-5-methylhexanamide (CID 164887824) is 5-fluoro-5-methylhexanamide.
What is the SMILES notation for 5-fluoro-5-methylhexanamide?
The canonical SMILES for 5-fluoro-5-methylhexanamide is CC(C)(F)CCCC(N)=O.
What is the InChIKey of 5-fluoro-5-methylhexanamide?
The InChIKey is KJDXASHALSEHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-7(2,8)5-3-4-6(9)10/h3-5H2,1-2H3,(H2,9,10).
What are the key properties of 5-fluoro-5-methylhexanamide?
5-fluoro-5-methylhexanamide has a molecular weight of 147.19 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-methylhexanamide is sourced from PubChem (CID 164887824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).