(1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine

C11H12F2N2 — CID 142149083

IUPAC(1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine
SMILESN/C=C(N)\C=C/Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2N2/c12-9-4-8(5-10(13)6-9)2-1-3-11(15)7-14/h1,3-7H,2,14-15H2/b3-1-,11-7+
InChIKeyKCVXVZVDJMVECJ-XWOCEKJHSA-N
MW210.23 g/mol
LogP1.82
Rot. Bonds3

About (1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine

(1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine (PubChem CID 142149083) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is (1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name(1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine
PubChem CID142149083
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine
SMILESN/C=C(N)\C=C/Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H12F2N2/c12-9-4-8(5-10(13)6-9)2-1-3-11(15)7-14/h1,3-7H,2,14-15H2/b3-1-,11-7+
InChIKeyKCVXVZVDJMVECJ-XWOCEKJHSA-N
XLogP1.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol
CID 142242491
[(Z)-5-(3,5-difluorophenyl)pent-3-enyl] methanesulfonate
CID 170782113
(Z)-4-[3-fluoro-5-(trifluoromethyl)phenyl]but-2-en-1-amine
CID 163513137
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
(3,5-difluorophenyl)methylurea
CID 112708056
1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-2-enyl]benzene
CID 57097862
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
2-[(3,5-difluorophenyl)methyl]prop-2-enamide
CID 174785178
1-(disulfanylmethyl)-3,5-difluorobenzene
CID 143472792
1-amino-3-(3,5-difluorophenyl)propan-2-ol
CID 83442505
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide
CID 170797801

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine?
The IUPAC name of (1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine (CID 142149083) is (1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine.
What is the SMILES notation for (1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine?
The canonical SMILES for (1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine is N/C=C(N)\C=C/Cc1cc(F)cc(F)c1.
What is the InChIKey of (1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine?
The InChIKey is KCVXVZVDJMVECJ-XWOCEKJHSA-N. The full InChI is InChI=1S/C11H12F2N2/c12-9-4-8(5-10(13)6-9)2-1-3-11(15)7-14/h1,3-7H,2,14-15H2/b3-1-,11-7+.
What are the key properties of (1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine?
(1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine has a molecular weight of 210.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-5-(3,5-difluorophenyl)penta-1,3-diene-1,2-diamine is sourced from PubChem (CID 142149083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).