(E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine

C12H22FNO — CID 166672703

IUPAC(E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C\F)COC1CCCCCCC1
InChIInChI=1S/C12H22FNO/c13-8-11(9-14)10-15-12-6-4-2-1-3-5-7-12/h8,12H,1-7,9-10,14H2/b11-8+
InChIKeyIRVFNVRRISMRBL-DHZHZOJOSA-N
MW215.31 g/mol
LogP2.93
Rot. Bonds4

About (E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine

(E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine (PubChem CID 166672703) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is (E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine
PubChem CID166672703
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name(E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C\F)COC1CCCCCCC1
InChIInChI=1S/C12H22FNO/c13-8-11(9-14)10-15-12-6-4-2-1-3-5-7-12/h8,12H,1-7,9-10,14H2/b11-8+
InChIKeyIRVFNVRRISMRBL-DHZHZOJOSA-N
XLogP2.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine (CID 166672703) is (E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine is NC/C(=C\F)COC1CCCCCCC1.
What is the InChIKey of (E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine?
The InChIKey is IRVFNVRRISMRBL-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H22FNO/c13-8-11(9-14)10-15-12-6-4-2-1-3-5-7-12/h8,12H,1-7,9-10,14H2/b11-8+.
What are the key properties of (E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine?
(E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine has a molecular weight of 215.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 166672703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).