1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone

C8H10F3NO — CID 15398095

IUPAC1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone
SMILESNC1=C(C(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,12H2
InChIKeyVLTFSIYEJYEGAH-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.90
Rot. Bonds1

About 1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone

1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone (PubChem CID 15398095) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone
PubChem CID15398095
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone
SMILESNC1=C(C(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,12H2
InChIKeyVLTFSIYEJYEGAH-UHFFFAOYSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone (CID 15398095) is 1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone is NC1=C(C(=O)C(F)(F)F)CCCC1.
What is the InChIKey of 1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is VLTFSIYEJYEGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)7(13)5-3-1-2-4-6(5)12/h1-4,12H2.
What are the key properties of 1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone?
1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 193.17 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexen-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 15398095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).