3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine

C7H14FNO — CID 174257570

IUPAC3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine
SMILESCNCC(=CF)OC(C)C
InChIInChI=1S/C7H14FNO/c1-6(2)10-7(4-8)5-9-3/h4,6,9H,5H2,1-3H3
InChIKeyISWNRENSCYZMLG-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.44
Rot. Bonds4

About 3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine

3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine (PubChem CID 174257570) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine
PubChem CID174257570
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine
SMILESCNCC(=CF)OC(C)C
InChIInChI=1S/C7H14FNO/c1-6(2)10-7(4-8)5-9-3/h4,6,9H,5H2,1-3H3
InChIKeyISWNRENSCYZMLG-UHFFFAOYSA-N
XLogP1.44
TPSA21.26 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine?
The IUPAC name of 3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine (CID 174257570) is 3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine.
What is the SMILES notation for 3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine?
The canonical SMILES for 3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine is CNCC(=CF)OC(C)C.
What is the InChIKey of 3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine?
The InChIKey is ISWNRENSCYZMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-6(2)10-7(4-8)5-9-3/h4,6,9H,5H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine?
3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine has a molecular weight of 147.19 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-2-propan-2-yloxyprop-2-en-1-amine is sourced from PubChem (CID 174257570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).