(E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine

C7H14FNO — CID 14724218

IUPAC(E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine
SMILESCC(C)OC/C(=C/F)CN
InChIInChI=1S/C7H14FNO/c1-6(2)10-5-7(3-8)4-9/h3,6H,4-5,9H2,1-2H3/b7-3+
InChIKeyYPOUMCWPVJWHFG-XVNBXDOJSA-N
MW147.19 g/mol
LogP1.22
Rot. Bonds4

About (E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine

(E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 14724218) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine
PubChem CID14724218
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine
SMILESCC(C)OC/C(=C/F)CN
InChIInChI=1S/C7H14FNO/c1-6(2)10-5-7(3-8)4-9/h3,6H,4-5,9H2,1-2H3/b7-3+
InChIKeyYPOUMCWPVJWHFG-XVNBXDOJSA-N
XLogP1.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine (CID 14724218) is (E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine is CC(C)OC/C(=C/F)CN.
What is the InChIKey of (E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is YPOUMCWPVJWHFG-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H14FNO/c1-6(2)10-5-7(3-8)4-9/h3,6H,4-5,9H2,1-2H3/b7-3+.
What are the key properties of (E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine?
(E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 147.19 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 14724218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).