fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone

C12H15F3FmNO3- — CID 166490283

IUPACfermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone
SMILESCC(CC1=CCCC=C1C(F)(F)F)N[C-]=O.O=CO.[Fm]
InChIInChI=1S/C11H13F3NO.CH2O2.Fm/c1-8(15-7-16)6-9-4-2-3-5-10(9)11(12,13)14;2-1-3;/h4-5,8H,2-3,6H2,1H3,(H,15,16);1H,(H,2,3);/q-1;;
InChIKeyJNMMNNYWYOOPDA-UHFFFAOYSA-N
MW535.25 g/mol
LogP2.33
Rot. Bonds4

About fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone

fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone (PubChem CID 166490283) has the molecular formula C12H15F3FmNO3- and a molecular weight of 535.25 g/mol. Its IUPAC name is fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone.

Molecular Properties

Compound Namefermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone
PubChem CID166490283
Molecular FormulaC12H15F3FmNO3-
Molecular Weight535.25 g/mol
Exact Mass535.20
IUPAC Namefermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone
SMILESCC(CC1=CCCC=C1C(F)(F)F)N[C-]=O.O=CO.[Fm]
InChIInChI=1S/C11H13F3NO.CH2O2.Fm/c1-8(15-7-16)6-9-4-2-3-5-10(9)11(12,13)14;2-1-3;/h4-5,8H,2-3,6H2,1H3,(H,15,16);1H,(H,2,3);/q-1;;
InChIKeyJNMMNNYWYOOPDA-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.25
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-yl]formamide
CID 166490284
(5-Cyclohexa-1,5-dien-1-ylpentan-2-ylamino)methanone;fermium;formic acid
CID 168915524

Frequently Asked Questions

What is the IUPAC name of fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone?
The IUPAC name of fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone (CID 166490283) is fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone.
What is the SMILES notation for fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone?
The canonical SMILES for fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone is CC(CC1=CCCC=C1C(F)(F)F)N[C-]=O.O=CO.[Fm].
What is the InChIKey of fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone?
The InChIKey is JNMMNNYWYOOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3NO.CH2O2.Fm/c1-8(15-7-16)6-9-4-2-3-5-10(9)11(12,13)14;2-1-3;/h4-5,8H,2-3,6H2,1H3,(H,15,16);1H,(H,2,3);/q-1;;.
What are the key properties of fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone?
fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone has a molecular weight of 535.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;formic acid;[1-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-2-ylamino]methanone is sourced from PubChem (CID 166490283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).