2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide

C9H14F3NO — CID 163696706

IUPAC2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide
SMILESCC/C=C\C(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-4-5-6-8(2,3)13-7(14)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14)/b6-5-
InChIKeyJXOQXXGPNMLIIL-WAYWQWQTSA-N
MW209.21 g/mol
LogP2.41
Rot. Bonds3

About 2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide

2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide (PubChem CID 163696706) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide
PubChem CID163696706
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide
SMILESCC/C=C\C(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-4-5-6-8(2,3)13-7(14)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14)/b6-5-
InChIKeyJXOQXXGPNMLIIL-WAYWQWQTSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.41
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 2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide (CID 163696706) is 2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide is CC/C=C\C(C)(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide?
The InChIKey is JXOQXXGPNMLIIL-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-4-5-6-8(2,3)13-7(14)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14)/b6-5-.
What are the key properties of 2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide?
2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide has a molecular weight of 209.21 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(Z)-2-methylhex-3-en-2-yl]acetamide is sourced from PubChem (CID 163696706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).