(Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one

C7H10F3NO — CID 139246005

IUPAC(Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one
SMILESC/C=C(/C(=O)C(F)(F)F)N(C)C
InChIInChI=1S/C7H10F3NO/c1-4-5(11(2)3)6(12)7(8,9)10/h4H,1-3H3/b5-4-
InChIKeyUGSOQGJYWGAZDS-PLNGDYQASA-N
MW181.16 g/mol
LogP1.58
Rot. Bonds2

About (Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one

(Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one (PubChem CID 139246005) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one
PubChem CID139246005
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one
SMILESC/C=C(/C(=O)C(F)(F)F)N(C)C
InChIInChI=1S/C7H10F3NO/c1-4-5(11(2)3)6(12)7(8,9)10/h4H,1-3H3/b5-4-
InChIKeyUGSOQGJYWGAZDS-PLNGDYQASA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one?
The IUPAC name of (Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one (CID 139246005) is (Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one.
What is the SMILES notation for (Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one?
The canonical SMILES for (Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one is C/C=C(/C(=O)C(F)(F)F)N(C)C.
What is the InChIKey of (Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one?
The InChIKey is UGSOQGJYWGAZDS-PLNGDYQASA-N. The full InChI is InChI=1S/C7H10F3NO/c1-4-5(11(2)3)6(12)7(8,9)10/h4H,1-3H3/b5-4-.
What are the key properties of (Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one?
(Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one has a molecular weight of 181.16 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(dimethylamino)-1,1,1-trifluoropent-3-en-2-one is sourced from PubChem (CID 139246005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).