(2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride

C8H14ClF2N — CID 19099414

IUPAC(2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride
SMILESC=CCC(F)(F)C(N)/C=C/C.Cl
InChIInChI=1S/C8H13F2N.ClH/c1-3-5-7(11)8(9,10)6-4-2;/h3-5,7H,2,6,11H2,1H3;1H/b5-3+;
InChIKeyHCTWQULDJFBPDF-WGCWOXMQSA-N
MW197.66 g/mol
LogP2.52
Rot. Bonds4

About (2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride

(2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride (PubChem CID 19099414) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is (2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride.

Molecular Properties

Compound Name(2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride
PubChem CID19099414
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name(2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride
SMILESC=CCC(F)(F)C(N)/C=C/C.Cl
InChIInChI=1S/C8H13F2N.ClH/c1-3-5-7(11)8(9,10)6-4-2;/h3-5,7H,2,6,11H2,1H3;1H/b5-3+;
InChIKeyHCTWQULDJFBPDF-WGCWOXMQSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride?
The IUPAC name of (2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride (CID 19099414) is (2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride.
What is the SMILES notation for (2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride?
The canonical SMILES for (2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride is C=CCC(F)(F)C(N)/C=C/C.Cl.
What is the InChIKey of (2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride?
The InChIKey is HCTWQULDJFBPDF-WGCWOXMQSA-N. The full InChI is InChI=1S/C8H13F2N.ClH/c1-3-5-7(11)8(9,10)6-4-2;/h3-5,7H,2,6,11H2,1H3;1H/b5-3+;.
What are the key properties of (2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride?
(2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride is sourced from PubChem (CID 19099414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).