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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Related Compounds

(E)-2,2-difluorohex-3-enoic acid
CID 21432334
(E,2S,3S)-2,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]hept-4-enoic acid
CID 134919044
N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
CID 63193771
2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid chloride
CID 86602100
2,2,2-trifluoro-N-(7-methylheptadecan-7-yl)acetamide
CID 91752756
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
N-[3-(aminomethyl)pentan-3-yl]-2,2,2-trifluoroacetamide
CID 63889752
(Z)-2-hydroxy-2-methylhex-3-enamide
CID 146609859
4-methyl-4-[(2,2,2-trifluoroacetyl)amino]pentanoic acid
CID 62043301
(E)-2-(methylamino)hex-3-en-2-ol
CID 152934971
(E)-2,2-dimethylhept-4-en-3-one
CID 12757137
butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 592907

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).