(1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine

C7H13FN2 — CID 126564830

IUPAC(1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C(C)/C(C)=C(\N)F
InChIInChI=1S/C7H13FN2/c1-4(6(3)9)5(2)7(8)10/h9-10H2,1-3H3/b6-4-,7-5-
InChIKeyUELSBEMYENAZLO-PEPZGXQESA-N
MW144.19 g/mol
LogP1.40
Rot. Bonds1

About (1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine

(1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine (PubChem CID 126564830) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine
PubChem CID126564830
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C(C)/C(C)=C(\N)F
InChIInChI=1S/C7H13FN2/c1-4(6(3)9)5(2)7(8)10/h9-10H2,1-3H3/b6-4-,7-5-
InChIKeyUELSBEMYENAZLO-PEPZGXQESA-N
XLogP1.40
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine
CID 138494979
(3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine
CID 139473395
(2Z)-3-(fluoromethyl)-5-methylhexa-2,4-dien-2-amine
CID 144501901
(2Z)-3-fluoro-4-methylpenta-2,4-dien-2-amine
CID 145011966
4-Fluoro-2,3-dimethylcyclobuta-1,3-dien-1-amine
CID 146232188
(2Z,4E)-5-fluoro-3-methylhepta-2,4-dien-2-amine
CID 155056684
(2E,4E)-5-fluoro-4-methylhexa-2,4-dien-2-amine
CID 156489635
(2Z)-3,4,5-trimethylhexa-2,4-dien-2-amine
CID 134858387
4,4-Difluoro-3-methylpent-2-en-2-amine
CID 144510936
(2E)-3,4-dimethylpenta-2,4-dien-2-amine
CID 19853716
(2Z)-3,4-dimethylpenta-2,4-dien-2-amine
CID 88534633
(2Z,4E)-4-methylhexa-2,4-diene-2,3,5-triamine
CID 89370528

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine (CID 126564830) is (1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine is C/C(N)=C(C)/C(C)=C(\N)F.
What is the InChIKey of (1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine?
The InChIKey is UELSBEMYENAZLO-PEPZGXQESA-N. The full InChI is InChI=1S/C7H13FN2/c1-4(6(3)9)5(2)7(8)10/h9-10H2,1-3H3/b6-4-,7-5-.
What are the key properties of (1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine?
(1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine has a molecular weight of 144.19 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 126564830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).