N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide

C10H16FNO — CID 123432723

IUPACN-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide
SMILESCC=CC=CC(C)(CF)NC(C)=O
InChIInChI=1S/C10H16FNO/c1-4-5-6-7-10(3,8-11)12-9(2)13/h4-7H,8H2,1-3H3,(H,12,13)
InChIKeyCUTFYKJKUSTTGI-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.98
Rot. Bonds4

About N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide

N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide (PubChem CID 123432723) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide
PubChem CID123432723
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide
SMILESCC=CC=CC(C)(CF)NC(C)=O
InChIInChI=1S/C10H16FNO/c1-4-5-6-7-10(3,8-11)12-9(2)13/h4-7H,8H2,1-3H3,(H,12,13)
InChIKeyCUTFYKJKUSTTGI-UHFFFAOYSA-N
XLogP1.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(tert-butyl)-3-ethyl-4-fluoropent-2-enamide
CID 177897438
N-tert-butyl-1-fluorocyclohexa-2,4-diene-1-carboxamide
CID 19418905
N-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]acetamide
CID 135220129
N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide
CID 142035875
N-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 143974056
N-[(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-yl]acetamide
CID 144756165
N-[(2E,4Z)-6-fluoro-5-methylhepta-2,4-dien-2-yl]acetamide
CID 156217807
2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide
CID 163696706
(3Z,5E)-5-(difluoromethyl)-N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]hepta-3,5-dienamide
CID 163950109
N-(1-fluorocyclohexa-2,5-dien-1-yl)acetamide
CID 173387193
(2E)-N-tert-butyl-4-methylpenta-2,4-dienamide
CID 131234353
(2E,4E)-N-tert-butyl-6,6-dimethylhepta-2,4-dienamide
CID 135042526

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide?
The IUPAC name of N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide (CID 123432723) is N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide.
What is the SMILES notation for N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide?
The canonical SMILES for N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide is CC=CC=CC(C)(CF)NC(C)=O.
What is the InChIKey of N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide?
The InChIKey is CUTFYKJKUSTTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-4-5-6-7-10(3,8-11)12-9(2)13/h4-7H,8H2,1-3H3,(H,12,13).
What are the key properties of N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide?
N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide has a molecular weight of 185.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylhepta-3,5-dien-2-yl)acetamide is sourced from PubChem (CID 123432723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).