N-(1-fluoropropoxymethyl)prop-2-en-1-amine

C7H14FNO — CID 90392561

IUPACN-(1-fluoropropoxymethyl)prop-2-en-1-amine
SMILESC=CCNCOC(F)CC
InChIInChI=1S/C7H14FNO/c1-3-5-9-6-10-7(8)4-2/h3,7,9H,1,4-6H2,2H3
InChIKeyKGZDXXVGNGGXIO-UHFFFAOYSA-N
MW147.19 g/mol
LogP1.44
Rot. Bonds6

About N-(1-fluoropropoxymethyl)prop-2-en-1-amine

N-(1-fluoropropoxymethyl)prop-2-en-1-amine (PubChem CID 90392561) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is N-(1-fluoropropoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(1-fluoropropoxymethyl)prop-2-en-1-amine
PubChem CID90392561
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC NameN-(1-fluoropropoxymethyl)prop-2-en-1-amine
SMILESC=CCNCOC(F)CC
InChIInChI=1S/C7H14FNO/c1-3-5-9-6-10-7(8)4-2/h3,7,9H,1,4-6H2,2H3
InChIKeyKGZDXXVGNGGXIO-UHFFFAOYSA-N
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-(1-fluoropropoxymethyl)prop-2-en-1-amine (CID 90392561) is N-(1-fluoropropoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(1-fluoropropoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-(1-fluoropropoxymethyl)prop-2-en-1-amine is C=CCNCOC(F)CC.
What is the InChIKey of N-(1-fluoropropoxymethyl)prop-2-en-1-amine?
The InChIKey is KGZDXXVGNGGXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-3-5-9-6-10-7(8)4-2/h3,7,9H,1,4-6H2,2H3.
What are the key properties of N-(1-fluoropropoxymethyl)prop-2-en-1-amine?
N-(1-fluoropropoxymethyl)prop-2-en-1-amine has a molecular weight of 147.19 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 90392561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).