(Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine

C9H15F3N2 — CID 143342121

IUPAC(Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine
SMILESCC/C(=N\C=C/C(C)CN)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-3-8(9(10,11)12)14-5-4-7(2)6-13/h4-5,7H,3,6,13H2,1-2H3/b5-4-,14-8+
InChIKeyYRIHSXNVWONJSZ-HNQGTOQISA-N
MW208.23 g/mol
LogP2.51
Rot. Bonds4

About (Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine

(Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine (PubChem CID 143342121) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is (Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine
PubChem CID143342121
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name(Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine
SMILESCC/C(=N\C=C/C(C)CN)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-3-8(9(10,11)12)14-5-4-7(2)6-13/h4-5,7H,3,6,13H2,1-2H3/b5-4-,14-8+
InChIKeyYRIHSXNVWONJSZ-HNQGTOQISA-N
XLogP2.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine?
The IUPAC name of (Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine (CID 143342121) is (Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine.
What is the SMILES notation for (Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine?
The canonical SMILES for (Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine is CC/C(=N\C=C/C(C)CN)C(F)(F)F.
What is the InChIKey of (Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine?
The InChIKey is YRIHSXNVWONJSZ-HNQGTOQISA-N. The full InChI is InChI=1S/C9H15F3N2/c1-3-8(9(10,11)12)14-5-4-7(2)6-13/h4-5,7H,3,6,13H2,1-2H3/b5-4-,14-8+.
What are the key properties of (Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine?
(Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine has a molecular weight of 208.23 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-4-(1,1,1-trifluorobutan-2-ylideneamino)but-3-en-1-amine is sourced from PubChem (CID 143342121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).