(E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine

C7H9F6N — CID 59366583

IUPAC(E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine
SMILESCC/C=C/CN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6N/c1-2-3-4-5-14(6(8,9)10)7(11,12)13/h3-4H,2,5H2,1H3/b4-3+
InChIKeyLXRFKLPIAQCDAH-ONEGZZNKSA-N
MW221.14 g/mol
LogP3.29
Rot. Bonds3

About (E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine

(E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine (PubChem CID 59366583) has the molecular formula C7H9F6N and a molecular weight of 221.14 g/mol. Its IUPAC name is (E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine
PubChem CID59366583
Molecular FormulaC7H9F6N
Molecular Weight221.14 g/mol
Exact Mass221.06
IUPAC Name(E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine
SMILESCC/C=C/CN(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6N/c1-2-3-4-5-14(6(8,9)10)7(11,12)13/h3-4H,2,5H2,1H3/b4-3+
InChIKeyLXRFKLPIAQCDAH-ONEGZZNKSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine?
The IUPAC name of (E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine (CID 59366583) is (E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine.
What is the SMILES notation for (E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine?
The canonical SMILES for (E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine is CC/C=C/CN(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine?
The InChIKey is LXRFKLPIAQCDAH-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H9F6N/c1-2-3-4-5-14(6(8,9)10)7(11,12)13/h3-4H,2,5H2,1H3/b4-3+.
What are the key properties of (E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine?
(E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine has a molecular weight of 221.14 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine is sourced from PubChem (CID 59366583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).