(3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine

C9H12F3NO — CID 168899188

IUPAC(3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine
SMILESC=C/C=C(\C(=C)OC)C(N)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-4-5-7(6(2)14-3)8(13)9(10,11)12/h4-5,8H,1-2,13H2,3H3/b7-5+
InChIKeyRQKLFANBJLMDAL-FNORWQNLSA-N
MW207.19 g/mol
LogP2.15
Rot. Bonds4

About (3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine

(3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine (PubChem CID 168899188) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is (3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine
PubChem CID168899188
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name(3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine
SMILESC=C/C=C(\C(=C)OC)C(N)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-4-5-7(6(2)14-3)8(13)9(10,11)12/h4-5,8H,1-2,13H2,3H3/b7-5+
InChIKeyRQKLFANBJLMDAL-FNORWQNLSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.15
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

1-[4-(2,2,2-Trifluoroethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 68097267
2-Ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine
CID 123377337
(3E)-5-(2,2-difluoropropoxy)-3-(2-methylprop-1-enyl)hepta-3,5,6-trien-2-amine
CID 124095375
1-[(4R)-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 124095634
(1S)-2,2,2-trifluoro-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine
CID 143771145
(2E,3Z)-2-ethylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
CID 156716176
(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine
CID 162578637
3-Methoxy-5-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 169921220
[6-(Trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanamine
CID 162559267
2-(Difluoromethyl)-4-ethyl-5-methoxy-1,2-dihydropyridine
CID 168176165
(2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine
CID 143299717
[4-(1-Methoxyethenyl)cyclohepta-1,3,6-trien-1-yl]methanamine
CID 143342253

Frequently Asked Questions

What is the IUPAC name of (3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine?
The IUPAC name of (3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine (CID 168899188) is (3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine?
The canonical SMILES for (3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine is C=C/C=C(\C(=C)OC)C(N)C(F)(F)F.
What is the InChIKey of (3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine?
The InChIKey is RQKLFANBJLMDAL-FNORWQNLSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-4-5-7(6(2)14-3)8(13)9(10,11)12/h4-5,8H,1-2,13H2,3H3/b7-5+.
What are the key properties of (3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine?
(3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine has a molecular weight of 207.19 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine is sourced from PubChem (CID 168899188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).