N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine

C10H14F3N3 — CID 146200869

IUPACN-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine
SMILESC=N/C(NC(=CC)C(F)(F)F)=C(C)\N=C\C
InChIInChI=1S/C10H14F3N3/c1-5-8(10(11,12)13)16-9(14-4)7(3)15-6-2/h5-6,16H,4H2,1-3H3/b8-5?,9-7+,15-6+
InChIKeyONYUSJDYASHNSS-CHLCANSLSA-N
MW233.24 g/mol
LogP3.02
Rot. Bonds4

About N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine

N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine (PubChem CID 146200869) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine.

Molecular Properties

Compound NameN-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine
PubChem CID146200869
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC NameN-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine
SMILESC=N/C(NC(=CC)C(F)(F)F)=C(C)\N=C\C
InChIInChI=1S/C10H14F3N3/c1-5-8(10(11,12)13)16-9(14-4)7(3)15-6-2/h5-6,16H,4H2,1-3H3/b8-5?,9-7+,15-6+
InChIKeyONYUSJDYASHNSS-CHLCANSLSA-N
XLogP3.02
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine?
The IUPAC name of N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine (CID 146200869) is N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine.
What is the SMILES notation for N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine?
The canonical SMILES for N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine is C=N/C(NC(=CC)C(F)(F)F)=C(C)\N=C\C.
What is the InChIKey of N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine?
The InChIKey is ONYUSJDYASHNSS-CHLCANSLSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-5-8(10(11,12)13)16-9(14-4)7(3)15-6-2/h5-6,16H,4H2,1-3H3/b8-5?,9-7+,15-6+.
What are the key properties of N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine?
N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine has a molecular weight of 233.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(ethylideneamino)-1-(methylideneamino)prop-1-enyl]-1,1,1-trifluorobut-2-en-2-amine is sourced from PubChem (CID 146200869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).