(Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one

C6H8F3NO — CID 45120065

IUPAC(Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one
SMILESCN/C(C)=C\C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-4(10-2)3-5(11)6(7,8)9/h3,10H,1-2H3/b4-3-
InChIKeySNKFRXXAKXVABN-ARJAWSKDSA-N
MW167.13 g/mol
LogP1.24
Rot. Bonds2

About (Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one

(Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one (PubChem CID 45120065) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one
PubChem CID45120065
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name(Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one
SMILESCN/C(C)=C\C(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-4(10-2)3-5(11)6(7,8)9/h3,10H,1-2H3/b4-3-
InChIKeySNKFRXXAKXVABN-ARJAWSKDSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-(methylamino)pent-3-en-2-one
CID 5379102
4-Ethylaminopent-3-EN-2-one
CID 11804773
2-(Difluoromethyl)pyridin-4-ol
CID 17968263
5-Fluoro-2-methylpyridin-4-OL
CID 127032713
(z)-4-Allylamino-1,1,1-trifluoro-3-penten-2-one
CID 129706884
(z)-4-Ethylamino-1,1,1-trifluoro-3-penten-2-one
CID 129706900
(3Z)-4-Amino-1,1,1-trifluoropent-3-en-2-one
CID 12586193
4-Amino-1,1,1-trifluoro-3-penten-2-one
CID 57366078
4-Methylaminopent-3-en-2-one
CID 566954
(E)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one
CID 5845852
4-Amino-1,1-difluoro-3-penten-2-one
CID 76223783
(z)-1,1,1-Trifluoro-4-(2-propynylamino)-3-pentene-2-one
CID 129767376

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one?
The IUPAC name of (Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one (CID 45120065) is (Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one is CN/C(C)=C\C(=O)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one?
The InChIKey is SNKFRXXAKXVABN-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-4(10-2)3-5(11)6(7,8)9/h3,10H,1-2H3/b4-3-.
What are the key properties of (Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one?
(Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one has a molecular weight of 167.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-(methylamino)pent-3-en-2-one is sourced from PubChem (CID 45120065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).