(3E)-4-fluorohexa-3,5-dien-3-amine

C6H10FN — CID 89416406

IUPAC(3E)-4-fluorohexa-3,5-dien-3-amine
SMILESC=C/C(F)=C(\N)CC
InChIInChI=1S/C6H10FN/c1-3-5(7)6(8)4-2/h3H,1,4,8H2,2H3/b6-5+
InChIKeyDUCIVFANIXTCJM-AATRIKPKSA-N
MW115.15 g/mol
LogP1.72
Rot. Bonds2

About (3E)-4-fluorohexa-3,5-dien-3-amine

(3E)-4-fluorohexa-3,5-dien-3-amine (PubChem CID 89416406) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (3E)-4-fluorohexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E)-4-fluorohexa-3,5-dien-3-amine
PubChem CID89416406
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(3E)-4-fluorohexa-3,5-dien-3-amine
SMILESC=C/C(F)=C(\N)CC
InChIInChI=1S/C6H10FN/c1-3-5(7)6(8)4-2/h3H,1,4,8H2,2H3/b6-5+
InChIKeyDUCIVFANIXTCJM-AATRIKPKSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Propylidene allyl amine
CID 129776872
2,6-Difluorocyclohexa-1,3,4-trien-1-amine
CID 88864147
(3E,5E)-5-fluoroocta-3,5,7-trien-3-amine
CID 88905364
(2E,4E)-2-fluorohepta-2,4-dien-4-amine
CID 88953573
4-Fluorocyclohepta-1,3,6-trien-1-amine
CID 89134403
2-Fluorocyclohexa-1,3-dien-1-amine
CID 89165873
(2E,4E)-3-fluorohepta-2,4-dien-4-amine
CID 89214767
(3E,5E)-6-fluorohexa-3,5-dien-3-amine
CID 89259713
(2E)-3-fluoropenta-2,4-dien-2-amine
CID 89416500
(2Z)-3-fluoropenta-2,4-dien-2-amine
CID 89933248
5-Fluorocyclohepta-1,4,6-trien-1-amine
CID 126660354
(3E,5Z)-4-fluorohepta-3,5-dien-3-amine
CID 129067297

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluorohexa-3,5-dien-3-amine?
The IUPAC name of (3E)-4-fluorohexa-3,5-dien-3-amine (CID 89416406) is (3E)-4-fluorohexa-3,5-dien-3-amine.
What is the SMILES notation for (3E)-4-fluorohexa-3,5-dien-3-amine?
The canonical SMILES for (3E)-4-fluorohexa-3,5-dien-3-amine is C=C/C(F)=C(\N)CC.
What is the InChIKey of (3E)-4-fluorohexa-3,5-dien-3-amine?
The InChIKey is DUCIVFANIXTCJM-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10FN/c1-3-5(7)6(8)4-2/h3H,1,4,8H2,2H3/b6-5+.
What are the key properties of (3E)-4-fluorohexa-3,5-dien-3-amine?
(3E)-4-fluorohexa-3,5-dien-3-amine has a molecular weight of 115.15 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluorohexa-3,5-dien-3-amine is sourced from PubChem (CID 89416406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).