(2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine

C11H16FN — CID 168958577

IUPAC(2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine
SMILESC=CCN(C(=C)C)/C(C)=C/C(=C)F
InChIInChI=1S/C11H16FN/c1-6-7-13(9(2)3)11(5)8-10(4)12/h6,8H,1-2,4,7H2,3,5H3/b11-8+
InChIKeyWFZQIOITHWQUIT-DHZHZOJOSA-N
MW181.25 g/mol
LogP3.39
Rot. Bonds5

About (2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine

(2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine (PubChem CID 168958577) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine
PubChem CID168958577
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine
SMILESC=CCN(C(=C)C)/C(C)=C/C(=C)F
InChIInChI=1S/C11H16FN/c1-6-7-13(9(2)3)11(5)8-10(4)12/h6,8H,1-2,4,7H2,3,5H3/b11-8+
InChIKeyWFZQIOITHWQUIT-DHZHZOJOSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-ethenyl-1-methyl-2H-pyridine
CID 22719088
(2Z)-3-fluoro-1-methyl-2-prop-2-enylidenepyridine
CID 88227504
5-Fluoro-1-methyl-2-methylidenepyridine
CID 123408310
3-Fluoro-1-hexa-2,4-dien-3-ylazetidine
CID 123754444
3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine
CID 123814892
N-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dien-2-amine
CID 123892342
5-fluoro-N,N-dimethylhexa-2,4-dien-2-amine
CID 123986678
(3E,5Z)-N-but-3-enyl-6-fluoro-N-methylhexa-1,3,5-trien-2-amine
CID 124175129
N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 126629579
(1E,3E)-N-but-3-en-2-yl-1-fluoro-N-methylpenta-1,3-dien-1-amine
CID 129055567
(3E,5E,7Z)-1-ethyl-4-fluoro-2H-azocine
CID 130413091
(2E)-N-ethyl-N-(fluoromethyl)penta-2,4-dien-1-amine
CID 132236712

Frequently Asked Questions

What is the IUPAC name of (2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine?
The IUPAC name of (2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine (CID 168958577) is (2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine?
The canonical SMILES for (2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine is C=CCN(C(=C)C)/C(C)=C/C(=C)F.
What is the InChIKey of (2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine?
The InChIKey is WFZQIOITHWQUIT-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H16FN/c1-6-7-13(9(2)3)11(5)8-10(4)12/h6,8H,1-2,4,7H2,3,5H3/b11-8+.
What are the key properties of (2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine?
(2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine has a molecular weight of 181.25 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine is sourced from PubChem (CID 168958577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).