N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide

C11H18F3NO — CID 146018286

IUPACN-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide
SMILESC=C(CCC(F)(F)F)C(CCC)NC(C)=O
InChIInChI=1S/C11H18F3NO/c1-4-5-10(15-9(3)16)8(2)6-7-11(12,13)14/h10H,2,4-7H2,1,3H3,(H,15,16)
InChIKeySUMVDOZICYHINB-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.19
Rot. Bonds6

About N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide

N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide (PubChem CID 146018286) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide.

Molecular Properties

Compound NameN-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide
PubChem CID146018286
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC NameN-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide
SMILESC=C(CCC(F)(F)F)C(CCC)NC(C)=O
InChIInChI=1S/C11H18F3NO/c1-4-5-10(15-9(3)16)8(2)6-7-11(12,13)14/h10H,2,4-7H2,1,3H3,(H,15,16)
InChIKeySUMVDOZICYHINB-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide?
The IUPAC name of N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide (CID 146018286) is N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide.
What is the SMILES notation for N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide?
The canonical SMILES for N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide is C=C(CCC(F)(F)F)C(CCC)NC(C)=O.
What is the InChIKey of N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide?
The InChIKey is SUMVDOZICYHINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-4-5-10(15-9(3)16)8(2)6-7-11(12,13)14/h10H,2,4-7H2,1,3H3,(H,15,16).
What are the key properties of N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide?
N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide has a molecular weight of 237.26 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8,8-trifluoro-5-methylideneoctan-4-yl)acetamide is sourced from PubChem (CID 146018286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).