N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide

C9H11F4NO — CID 556739

IUPACN-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide
SMILESO=C(NC1=CCCCC1)C(F)C(F)(F)F
InChIInChI=1S/C9H11F4NO/c10-7(9(11,12)13)8(15)14-6-4-2-1-3-5-6/h4,7H,1-3,5H2,(H,14,15)
InChIKeyPIUPSOZXOUBZQF-UHFFFAOYSA-N
MW225.18 g/mol
LogP2.46
Rot. Bonds2

About N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide

N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide (PubChem CID 556739) has the molecular formula C9H11F4NO and a molecular weight of 225.18 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide
PubChem CID556739
Molecular FormulaC9H11F4NO
Molecular Weight225.18 g/mol
Exact Mass225.08
IUPAC NameN-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide
SMILESO=C(NC1=CCCCC1)C(F)C(F)(F)F
InChIInChI=1S/C9H11F4NO/c10-7(9(11,12)13)8(15)14-6-4-2-1-3-5-6/h4,7H,1-3,5H2,(H,14,15)
InChIKeyPIUPSOZXOUBZQF-UHFFFAOYSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide?
The IUPAC name of N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide (CID 556739) is N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide is O=C(NC1=CCCCC1)C(F)C(F)(F)F.
What is the InChIKey of N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide?
The InChIKey is PIUPSOZXOUBZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4NO/c10-7(9(11,12)13)8(15)14-6-4-2-1-3-5-6/h4,7H,1-3,5H2,(H,14,15).
What are the key properties of N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide?
N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide has a molecular weight of 225.18 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-2,3,3,3-tetrafluoropropanamide is sourced from PubChem (CID 556739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).