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

C11H18F3NO — CID 177149842

IUPACethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
SMILESC/C=C\C(CN)=C(/CC)OC(F)(F)F.C=C
InChIInChI=1S/C9H14F3NO.C2H4/c1-3-5-7(6-13)8(4-2)14-9(10,11)12;1-2/h3,5H,4,6,13H2,1-2H3;1-2H2/b5-3-,8-7-;
InChIKeyHZJRRDMSXGMDJT-QNBLPONFSA-N
MW237.26 g/mol
LogP3.52
Rot. Bonds4

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

ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine (PubChem CID 177149842) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine.

Molecular Properties

Compound Nameethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
PubChem CID177149842
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Nameethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
SMILESC/C=C\C(CN)=C(/CC)OC(F)(F)F.C=C
InChIInChI=1S/C9H14F3NO.C2H4/c1-3-5-7(6-13)8(4-2)14-9(10,11)12;1-2/h3,5H,4,6,13H2,1-2H3;1-2H2/b5-3-,8-7-;
InChIKeyHZJRRDMSXGMDJT-QNBLPONFSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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
[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
(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-(Trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine
CID 177150022
[3,5-dimethyl-4-[(2R)-2,3,3-trifluoro-2-methylpropoxy]cycloocta-1,3,7-trien-1-yl]methanamine
CID 153689083
[5-Methyl-4-(3,3,3-trifluoropropoxy)cycloocta-1,3,7-trien-1-yl]methanamine
CID 162566377
(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
CID 177149843
5-Methoxy-2-methylhepta-2,4-dien-1-amine
CID 123747558

Frequently Asked Questions

What is the IUPAC name of ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine?
The IUPAC name of ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine (CID 177149842) is ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine.
What is the SMILES notation for ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine?
The canonical SMILES for ethene;(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.C=C.
What is the InChIKey of ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine?
The InChIKey is HZJRRDMSXGMDJT-QNBLPONFSA-N. The full InChI is InChI=1S/C9H14F3NO.C2H4/c1-3-5-7(6-13)8(4-2)14-9(10,11)12;1-2/h3,5H,4,6,13H2,1-2H3;1-2H2/b5-3-,8-7-;.
What are the key properties of ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine?
ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine has a molecular weight of 237.26 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine is sourced from PubChem (CID 177149842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).