(Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine

C7H11ClF3N — CID 162595807

IUPAC(Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine
SMILESCCN/C(=C\CCCl)C(F)(F)F
InChIInChI=1S/C7H11ClF3N/c1-2-12-6(4-3-5-8)7(9,10)11/h4,12H,2-3,5H2,1H3/b6-4-
InChIKeyAMFMZLUFZHTLDM-XQRVVYSFSA-N
MW201.62 g/mol
LogP2.67
Rot. Bonds4

About (Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine

(Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine (PubChem CID 162595807) has the molecular formula C7H11ClF3N and a molecular weight of 201.62 g/mol. Its IUPAC name is (Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine
PubChem CID162595807
Molecular FormulaC7H11ClF3N
Molecular Weight201.62 g/mol
Exact Mass201.05
IUPAC Name(Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine
SMILESCCN/C(=C\CCCl)C(F)(F)F
InChIInChI=1S/C7H11ClF3N/c1-2-12-6(4-3-5-8)7(9,10)11/h4,12H,2-3,5H2,1H3/b6-4-
InChIKeyAMFMZLUFZHTLDM-XQRVVYSFSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.62
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine?
The IUPAC name of (Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine (CID 162595807) is (Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine.
What is the SMILES notation for (Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine?
The canonical SMILES for (Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine is CCN/C(=C\CCCl)C(F)(F)F.
What is the InChIKey of (Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine?
The InChIKey is AMFMZLUFZHTLDM-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H11ClF3N/c1-2-12-6(4-3-5-8)7(9,10)11/h4,12H,2-3,5H2,1H3/b6-4-.
What are the key properties of (Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine?
(Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine has a molecular weight of 201.62 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-chloro-N-ethyl-1,1,1-trifluoropent-2-en-2-amine is sourced from PubChem (CID 162595807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).