(2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine

C10H14F3NO — CID 143689086

IUPAC(2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(\C=C)OC(C)(F)C(F)F
InChIInChI=1S/C10H14F3NO/c1-4-7(6-14)8(5-2)15-10(3,13)9(11)12/h4-5,9H,1-2,6,14H2,3H3/b8-7-
InChIKeyDLOBQAUZHVNJDX-FPLPWBNLSA-N
MW221.22 g/mol
LogP2.54
Rot. Bonds6

About (2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine

(2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine (PubChem CID 143689086) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is (2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine
PubChem CID143689086
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name(2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(\C=C)OC(C)(F)C(F)F
InChIInChI=1S/C10H14F3NO/c1-4-7(6-14)8(5-2)15-10(3,13)9(11)12/h4-5,9H,1-2,6,14H2,3H3/b8-7-
InChIKeyDLOBQAUZHVNJDX-FPLPWBNLSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.54
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'}

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Related Compounds

2-Ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine
CID 123377337
(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143306820
[5-(Trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
CID 143615714
(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
(2E)-2-(1-fluoroethenyl)-3-methoxypenta-2,4-dien-1-amine
CID 169127401
(Z)-2-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)pent-2-en-1-amine
CID 177149843
ethane;(2Z)-2-ethenyl-3-methoxypenta-2,4-dien-1-amine
CID 141975403
(2Z)-2-ethenyl-3-methoxypenta-2,4-dien-1-amine
CID 141975404
(2Z)-2-ethenyl-3-ethoxypenta-2,4-dien-1-amine
CID 142018033
ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143673829

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine?
The IUPAC name of (2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine (CID 143689086) is (2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine is C=C/C(CN)=C(\C=C)OC(C)(F)C(F)F.
What is the InChIKey of (2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine?
The InChIKey is DLOBQAUZHVNJDX-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-4-7(6-14)8(5-2)15-10(3,13)9(11)12/h4-5,9H,1-2,6,14H2,3H3/b8-7-.
What are the key properties of (2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine?
(2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine has a molecular weight of 221.22 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethenyl-3-(1,1,2-trifluoropropan-2-yloxy)penta-2,4-dien-1-amine is sourced from PubChem (CID 143689086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).