N-(2-fluoro-4-methylhept-6-enyl)acetamide

C10H18FNO — CID 174344783

IUPACN-(2-fluoro-4-methylhept-6-enyl)acetamide
SMILESC=CCC(C)CC(F)CNC(C)=O
InChIInChI=1S/C10H18FNO/c1-4-5-8(2)6-10(11)7-12-9(3)13/h4,8,10H,1,5-7H2,2-3H3,(H,12,13)
InChIKeyMYNQALACMWHZSI-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.06
Rot. Bonds6

About N-(2-fluoro-4-methylhept-6-enyl)acetamide

N-(2-fluoro-4-methylhept-6-enyl)acetamide (PubChem CID 174344783) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is N-(2-fluoro-4-methylhept-6-enyl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylhept-6-enyl)acetamide
PubChem CID174344783
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC NameN-(2-fluoro-4-methylhept-6-enyl)acetamide
SMILESC=CCC(C)CC(F)CNC(C)=O
InChIInChI=1S/C10H18FNO/c1-4-5-8(2)6-10(11)7-12-9(3)13/h4,8,10H,1,5-7H2,2-3H3,(H,12,13)
InChIKeyMYNQALACMWHZSI-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.06
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-(2-fluoro-4-methylhept-6-enyl)acetamide?
The IUPAC name of N-(2-fluoro-4-methylhept-6-enyl)acetamide (CID 174344783) is N-(2-fluoro-4-methylhept-6-enyl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylhept-6-enyl)acetamide?
The canonical SMILES for N-(2-fluoro-4-methylhept-6-enyl)acetamide is C=CCC(C)CC(F)CNC(C)=O.
What is the InChIKey of N-(2-fluoro-4-methylhept-6-enyl)acetamide?
The InChIKey is MYNQALACMWHZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-4-5-8(2)6-10(11)7-12-9(3)13/h4,8,10H,1,5-7H2,2-3H3,(H,12,13).
What are the key properties of N-(2-fluoro-4-methylhept-6-enyl)acetamide?
N-(2-fluoro-4-methylhept-6-enyl)acetamide has a molecular weight of 187.26 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylhept-6-enyl)acetamide is sourced from PubChem (CID 174344783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).