(Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one

C10H14F5NO — CID 91801576

IUPAC(Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one
SMILESCC/C=C(/CN(C)C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO/c1-4-5-7(6-16(2)3)8(17)9(11,12)10(13,14)15/h5H,4,6H2,1-3H3/b7-5-
InChIKeyDQMRFIAXBCKGCP-ALCCZGGFSA-N
MW259.22 g/mol
LogP2.65
Rot. Bonds5

About (Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one

(Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one (PubChem CID 91801576) has the molecular formula C10H14F5NO and a molecular weight of 259.22 g/mol. Its IUPAC name is (Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one.

Molecular Properties

Compound Name(Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one
PubChem CID91801576
Molecular FormulaC10H14F5NO
Molecular Weight259.22 g/mol
Exact Mass259.10
IUPAC Name(Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one
SMILESCC/C=C(/CN(C)C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5NO/c1-4-5-7(6-16(2)3)8(17)9(11,12)10(13,14)15/h5H,4,6H2,1-3H3/b7-5-
InChIKeyDQMRFIAXBCKGCP-ALCCZGGFSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one?
The IUPAC name of (Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one (CID 91801576) is (Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one.
What is the SMILES notation for (Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one?
The canonical SMILES for (Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one is CC/C=C(/CN(C)C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one?
The InChIKey is DQMRFIAXBCKGCP-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H14F5NO/c1-4-5-7(6-16(2)3)8(17)9(11,12)10(13,14)15/h5H,4,6H2,1-3H3/b7-5-.
What are the key properties of (Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one?
(Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one has a molecular weight of 259.22 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(dimethylamino)methyl]-1,1,1,2,2-pentafluorohept-4-en-3-one is sourced from PubChem (CID 91801576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).