(2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine

C7H10F3NO — CID 135210390

IUPAC(2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine
SMILESC/C=C(N)\C(=C/CF)OC(F)F
InChIInChI=1S/C7H10F3NO/c1-2-5(11)6(3-4-8)12-7(9)10/h2-3,7H,4,11H2,1H3/b5-2+,6-3+
InChIKeyZWCVDHDRGFFPKG-BUSIMMOISA-N
MW181.16 g/mol
LogP1.94
Rot. Bonds4

About (2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine

(2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine (PubChem CID 135210390) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine
PubChem CID135210390
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine
SMILESC/C=C(N)\C(=C/CF)OC(F)F
InChIInChI=1S/C7H10F3NO/c1-2-5(11)6(3-4-8)12-7(9)10/h2-3,7H,4,11H2,1H3/b5-2+,6-3+
InChIKeyZWCVDHDRGFFPKG-BUSIMMOISA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.94
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

(3E)-3-fluoro-5-methoxyhexa-1,3,5-trien-2-amine
CID 144251334
(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
CID 145179777
(3E)-5-fluoro-3-methoxyhexa-1,3,5-trien-2-amine
CID 146382961
(3Z)-4-fluoro-3-methoxyhexa-1,3,5-trien-2-amine
CID 146406829
(2Z,4E)-1,1,1-trifluoro-5-methoxyhepta-2,4,6-trien-2-amine
CID 154006651
(3Z,5E)-5-methoxy-3-(trifluoromethyl)hepta-1,3,5-trien-4-amine
CID 162589046
(2E,4Z)-5-fluoro-4-methoxyhepta-2,4,6-trien-3-amine
CID 169253016
(3E)-3-(difluoromethoxy)penta-1,3-dien-2-amine
CID 178134132
(3E)-2-methoxypenta-1,3-dien-3-amine
CID 89033342
(2E,4E)-4-methoxyhexa-2,4-dien-3-amine
CID 142167564
(3E,5E)-5-methoxyhepta-1,3,5-trien-4-amine
CID 143442490
(3E)-3-methoxypenta-1,3-dien-2-amine
CID 154964191

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine (CID 135210390) is (2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine is C/C=C(N)\C(=C/CF)OC(F)F.
What is the InChIKey of (2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine?
The InChIKey is ZWCVDHDRGFFPKG-BUSIMMOISA-N. The full InChI is InChI=1S/C7H10F3NO/c1-2-5(11)6(3-4-8)12-7(9)10/h2-3,7H,4,11H2,1H3/b5-2+,6-3+.
What are the key properties of (2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine?
(2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine has a molecular weight of 181.16 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-(difluoromethoxy)-6-fluorohexa-2,4-dien-3-amine is sourced from PubChem (CID 135210390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).