4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine

C10H18FNO — CID 154676682

IUPAC4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine
SMILESC=C(F)CCNC(=C)CCOCC
InChIInChI=1S/C10H18FNO/c1-4-13-8-6-10(3)12-7-5-9(2)11/h12H,2-8H2,1H3
InChIKeySJSYZWUAWSUCHX-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.39
Rot. Bonds8

About 4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine

4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine (PubChem CID 154676682) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine
PubChem CID154676682
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine
SMILESC=C(F)CCNC(=C)CCOCC
InChIInChI=1S/C10H18FNO/c1-4-13-8-6-10(3)12-7-5-9(2)11/h12H,2-8H2,1H3
InChIKeySJSYZWUAWSUCHX-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-Fluorobut-3-enylamino)but-3-enoxy]ethanethiol
CID 177190426
N-(3-methoxypropyl)but-1-en-2-amine
CID 90245952
N-(2-propoxyethyl)but-1-en-2-amine
CID 149018825
CID 153330082
CID 153330082
ethane;molecular hydrogen;4-pentoxy-N-propylbut-1-en-2-amine
CID 153330353
ethane;1-N-(4-ethoxybut-1-en-2-yl)-3-N-methylbut-3-ene-1,3-diamine;molecular hydrogen;tungsten
CID 154676670
ethane;1-N-(4-ethoxybut-1-en-2-yl)but-3-ene-1,3-diamine;tungsten
CID 154676679
4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine;tungsten
CID 154676681
CID 154676694
CID 154676694
1-N-[4-(2-aminoethoxy)but-1-en-2-yl]-3-N-methylbut-3-ene-1,3-diamine
CID 154676710
CID 154676718
CID 154676718
3-N-methyl-1-N-(4-penta-3,4-dienoxybut-1-en-2-yl)but-3-ene-1,3-diamine
CID 155058408

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine?
The IUPAC name of 4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine (CID 154676682) is 4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine.
What is the SMILES notation for 4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine?
The canonical SMILES for 4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine is C=C(F)CCNC(=C)CCOCC.
What is the InChIKey of 4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine?
The InChIKey is SJSYZWUAWSUCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-4-13-8-6-10(3)12-7-5-9(2)11/h12H,2-8H2,1H3.
What are the key properties of 4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine?
4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine has a molecular weight of 187.26 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-fluorobut-3-enyl)but-1-en-2-amine is sourced from PubChem (CID 154676682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).