(2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine

C10H13F3N2 — CID 167053063

IUPAC(2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine
SMILESC=C/C=C(\N(C)/C(C)=C\N=C)C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-5-6-9(10(11,12)13)15(4)8(2)7-14-3/h5-7H,1,3H2,2,4H3/b8-7-,9-6-
InChIKeyIHABUIKEPXSYFH-QOCNPQIPSA-N
MW218.22 g/mol
LogP3.11
Rot. Bonds4

About (2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine

(2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine (PubChem CID 167053063) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is (2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine
PubChem CID167053063
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name(2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine
SMILESC=C/C=C(\N(C)/C(C)=C\N=C)C(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-5-6-9(10(11,12)13)15(4)8(2)7-14-3/h5-7H,1,3H2,2,4H3/b8-7-,9-6-
InChIKeyIHABUIKEPXSYFH-QOCNPQIPSA-N
XLogP3.11
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine?
The IUPAC name of (2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine (CID 167053063) is (2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine is C=C/C=C(\N(C)/C(C)=C\N=C)C(F)(F)F.
What is the InChIKey of (2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine?
The InChIKey is IHABUIKEPXSYFH-QOCNPQIPSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-5-6-9(10(11,12)13)15(4)8(2)7-14-3/h5-7H,1,3H2,2,4H3/b8-7-,9-6-.
What are the key properties of (2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine?
(2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine has a molecular weight of 218.22 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,1,1-trifluoro-N-methyl-N-[(Z)-1-(methylideneamino)prop-1-en-2-yl]penta-2,4-dien-2-amine is sourced from PubChem (CID 167053063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).