2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene

C7H4F3NO2S — CID 156636051

IUPAC2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene
SMILESO=[N+]([O-])/C=C(\c1cccs1)C(F)(F)F
InChIInChI=1S/C7H4F3NO2S/c8-7(9,10)5(4-11(12)13)6-2-1-3-14-6/h1-4H/b5-4+
InChIKeyWMVNLFAHQNBYFN-SNAWJCMRSA-N
MW223.18 g/mol
LogP2.93
Rot. Bonds2

About 2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene

2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene (PubChem CID 156636051) has the molecular formula C7H4F3NO2S and a molecular weight of 223.18 g/mol. Its IUPAC name is 2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene.

Molecular Properties

Compound Name2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene
PubChem CID156636051
Molecular FormulaC7H4F3NO2S
Molecular Weight223.18 g/mol
Exact Mass222.99
IUPAC Name2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene
SMILESO=[N+]([O-])/C=C(\c1cccs1)C(F)(F)F
InChIInChI=1S/C7H4F3NO2S/c8-7(9,10)5(4-11(12)13)6-2-1-3-14-6/h1-4H/b5-4+
InChIKeyWMVNLFAHQNBYFN-SNAWJCMRSA-N
XLogP2.93
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene?
The IUPAC name of 2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene (CID 156636051) is 2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene.
What is the SMILES notation for 2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene?
The canonical SMILES for 2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene is O=[N+]([O-])/C=C(\c1cccs1)C(F)(F)F.
What is the InChIKey of 2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene?
The InChIKey is WMVNLFAHQNBYFN-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H4F3NO2S/c8-7(9,10)5(4-11(12)13)6-2-1-3-14-6/h1-4H/b5-4+.
What are the key properties of 2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene?
2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene has a molecular weight of 223.18 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3,3,3-trifluoro-1-nitroprop-1-en-2-yl]thiophene is sourced from PubChem (CID 156636051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).