1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one

C10H14F4N2O — CID 113250977

IUPAC1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
SMILESO=C(N1CCN(C2CC2)CC1)C(F)(F)C(F)F
InChIInChI=1S/C10H14F4N2O/c11-8(12)10(13,14)9(17)16-5-3-15(4-6-16)7-1-2-7/h7-8H,1-6H2
InChIKeyLRVMENSMSUXKAK-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.19
Rot. Bonds3

About 1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one

1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one (PubChem CID 113250977) has the molecular formula C10H14F4N2O and a molecular weight of 254.23 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
PubChem CID113250977
Molecular FormulaC10H14F4N2O
Molecular Weight254.23 g/mol
Exact Mass254.10
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one
SMILESO=C(N1CCN(C2CC2)CC1)C(F)(F)C(F)F
InChIInChI=1S/C10H14F4N2O/c11-8(12)10(13,14)9(17)16-5-3-15(4-6-16)7-1-2-7/h7-8H,1-6H2
InChIKeyLRVMENSMSUXKAK-UHFFFAOYSA-N
XLogP1.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-tetrafluoro-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 103733241
2-methyl-1-[4-(2,2,3,3-tetrafluoropropanoyl)piperazin-1-yl]propan-1-one
CID 103732065
1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile
CID 103733367
2,2,3,3-tetrafluoro-1-morpholin-4-ylpropan-1-one
CID 3621669
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103750070
1-(2,2,3,3-tetrafluoropropanoyl)pyrrolidine-3-carboxylic acid
CID 103803979
2,2,3,3-tetrafluoro-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 103747253
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2,3,3-tetrafluoropropan-1-one;hydrochloride
CID 119484770
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 24744899
N-(3-hydroxypropyl)-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carboxamide
CID 103801707
1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one
CID 107024691
5-methyl-1-(2,2,3,3-tetrafluoropropanoyl)piperidine-3-carboxylic acid
CID 122118908

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one (CID 113250977) is 1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one is O=C(N1CCN(C2CC2)CC1)C(F)(F)C(F)F.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one?
The InChIKey is LRVMENSMSUXKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N2O/c11-8(12)10(13,14)9(17)16-5-3-15(4-6-16)7-1-2-7/h7-8H,1-6H2.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one?
1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one has a molecular weight of 254.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)-2,2,3,3-tetrafluoropropan-1-one is sourced from PubChem (CID 113250977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).