(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine

C9H14F3NO — CID 177149843

IUPAC(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
SMILESC/C=C\C(CN)=C(/CC)OC(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-3-5-7(6-13)8(4-2)14-9(10,11)12/h3,5H,4,6,13H2,1-2H3/b5-3-,8-7-
InChIKeyBUMYREFCKNZRMF-OVRZELKPSA-N
MW209.21 g/mol
LogP2.72
Rot. Bonds4

About (Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine

(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine (PubChem CID 177149843) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
PubChem CID177149843
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
SMILESC/C=C\C(CN)=C(/CC)OC(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-3-5-7(6-13)8(4-2)14-9(10,11)12/h3,5H,4,6,13H2,1-2H3/b5-3-,8-7-
InChIKeyBUMYREFCKNZRMF-OVRZELKPSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)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

Related Compounds

2-Ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine
CID 123377337
(2E,4E)-2-ethyl-4-methyl-5-(2,2,2-trifluoroethoxy)penta-2,4-dien-1-amine
CID 132195092
(E)-2-[4-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]ethenamine
CID 139397517
[6-(Trifluoromethoxy)cyclohepta-1,3,6-trien-1-yl]methanamine
CID 142236543
[5-(Trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
CID 143615714
(1Z,3Z,5E)-6-methoxy-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 144180308
(3E)-5-fluoro-4-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 144488234
(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
CID 144992736
(2E,3Z)-2-ethylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
CID 156716176
2-[2-(Trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 165403764
ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
CID 177149842
[2-(Trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine
CID 177150022

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine?
The IUPAC name of (Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine (CID 177149843) is (Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine.
What is the SMILES notation for (Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine?
The canonical SMILES for (Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine is C/C=C\C(CN)=C(/CC)OC(F)(F)F.
What is the InChIKey of (Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine?
The InChIKey is BUMYREFCKNZRMF-OVRZELKPSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-3-5-7(6-13)8(4-2)14-9(10,11)12/h3,5H,4,6,13H2,1-2H3/b5-3-,8-7-.
What are the key properties of (Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine?
(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine has a molecular weight of 209.21 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine is sourced from PubChem (CID 177149843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).