1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one

C8H11F4NO — CID 125487257

IUPAC1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one
SMILESCC(C)/N=C(\CC(F)F)C(=O)C(F)F
InChIInChI=1S/C8H11F4NO/c1-4(2)13-5(3-6(9)10)7(14)8(11)12/h4,6,8H,3H2,1-2H3/b13-5+
InChIKeyHHBBMUGAISGKHH-WLRTZDKTSA-N
MW213.17 g/mol
LogP2.33
Rot. Bonds5

About 1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one

1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one (PubChem CID 125487257) has the molecular formula C8H11F4NO and a molecular weight of 213.17 g/mol. Its IUPAC name is 1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one.

Molecular Properties

Compound Name1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one
PubChem CID125487257
Molecular FormulaC8H11F4NO
Molecular Weight213.17 g/mol
Exact Mass213.08
IUPAC Name1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one
SMILESCC(C)/N=C(\CC(F)F)C(=O)C(F)F
InChIInChI=1S/C8H11F4NO/c1-4(2)13-5(3-6(9)10)7(14)8(11)12/h4,6,8H,3H2,1-2H3/b13-5+
InChIKeyHHBBMUGAISGKHH-WLRTZDKTSA-N
XLogP2.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-4-[2-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]propylimino]pentan-2-one
CID 227167
N,N'-Ethylenebis(trifluoroacetylacetoneimine)
CID 193293
N,N'-Butylenebis(5,5,5-trifluoro-4-oxopentan-2-imine)
CID 586813
N,N'-Ethylenebis(5,5,5-trifluoro-4-oxopentan-2-imine)
CID 597142
2-Pentanone, 1,1,1,5,5,5-hexafluoro-4-[(2,2,2-trifluoroethyl)imino]-
CID 15051445
1,1,1,2,2,6,6,6-Octafluoro-5-(2,2,2-trifluoroethylimino)hexan-3-one
CID 15051446
1,1,1,2,2,3,3,7,7,7-Decafluoro-6-(2,2,2-trifluoroethylimino)heptan-4-one
CID 15051447
6,6,6-Trifluoro-3-methyliminohexan-2-one
CID 91429249
1,1,1-Trifluoro-4-propyliminopentan-2-one
CID 118001960
Copper;1,1,1,5,5,5-hexafluoro-4-(2,2,2-trifluoroethylimino)pentan-2-one
CID 132054616
5,5,5-Trifluoro-4-propyliminopentan-2-one
CID 144821708
5,5,5-Trifluoro-4-methyliminopentan-2-one
CID 176049046

Frequently Asked Questions

What is the IUPAC name of 1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one?
The IUPAC name of 1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one (CID 125487257) is 1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one.
What is the SMILES notation for 1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one?
The canonical SMILES for 1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one is CC(C)/N=C(\CC(F)F)C(=O)C(F)F.
What is the InChIKey of 1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one?
The InChIKey is HHBBMUGAISGKHH-WLRTZDKTSA-N. The full InChI is InChI=1S/C8H11F4NO/c1-4(2)13-5(3-6(9)10)7(14)8(11)12/h4,6,8H,3H2,1-2H3/b13-5+.
What are the key properties of 1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one?
1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one has a molecular weight of 213.17 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetrafluoro-3-propan-2-yliminopentan-2-one is sourced from PubChem (CID 125487257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).