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

C6H11FN2 — CID 138494979

IUPAC(1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C(C)/C=C(\N)F
InChIInChI=1S/C6H11FN2/c1-4(5(2)8)3-6(7)9/h3H,8-9H2,1-2H3/b5-4-,6-3-
InChIKeyVTGDJCYXYMHSKD-QXYVOPKASA-N
MW130.17 g/mol
LogP1.01
Rot. Bonds1

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

(1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine (PubChem CID 138494979) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is (1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine
PubChem CID138494979
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C(C)/C=C(\N)F
InChIInChI=1S/C6H11FN2/c1-4(5(2)8)3-6(7)9/h3H,8-9H2,1-2H3/b5-4-,6-3-
InChIKeyVTGDJCYXYMHSKD-QXYVOPKASA-N
XLogP1.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.01
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-dien-1-amine
CID 89141319
(1Z,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 90436396
(2E,4E)-6-fluoro-5-methylhexa-2,4-dien-2-amine
CID 126548715
(3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine
CID 126548975
(1E,3Z)-1-fluoro-2,3-dimethylpenta-1,3-diene-1,4-diamine
CID 126564830
(2E,4E)-4-fluoro-5-methylhepta-2,4-dien-2-amine
CID 137386081
(3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine
CID 139473395
(3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine
CID 142152219
(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-amine
CID 142233101
(3Z)-5-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 143431975
(3E)-3-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 143847654
(3Z)-5-fluoro-3-methylhexa-1,3,5-trien-2-amine
CID 144566960

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine (CID 138494979) is (1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine is C/C(N)=C(C)/C=C(\N)F.
What is the InChIKey of (1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine?
The InChIKey is VTGDJCYXYMHSKD-QXYVOPKASA-N. The full InChI is InChI=1S/C6H11FN2/c1-4(5(2)8)3-6(7)9/h3H,8-9H2,1-2H3/b5-4-,6-3-.
What are the key properties of (1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine?
(1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine has a molecular weight of 130.17 g/mol, XLogP of 1.01, 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-3-methylpenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 138494979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).