3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine

C9H18FNO — CID 114467702

IUPAC3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
SMILESC=C(C)COCCNCCCF
InChIInChI=1S/C9H18FNO/c1-9(2)8-12-7-6-11-5-3-4-10/h11H,1,3-8H2,2H3
InChIKeyCSHLRHGSCYKSTQ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.53
Rot. Bonds8

About 3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine

3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine (PubChem CID 114467702) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
PubChem CID114467702
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
SMILESC=C(C)COCCNCCCF
InChIInChI=1S/C9H18FNO/c1-9(2)8-12-7-6-11-5-3-4-10/h11H,1,3-8H2,2H3
InChIKeyCSHLRHGSCYKSTQ-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 63828236
1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 102870149
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
2-(2,2-difluoroethoxymethyl)-N-propylprop-2-en-1-amine
CID 103075031
N-ethyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075053
N-propyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075059
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylprop-2-en-1-amine
CID 105910557
6,6,6-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]hexan-2-amine
CID 113586410
N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114467137
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467227
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114467234

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine (CID 114467702) is 3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine is C=C(C)COCCNCCCF.
What is the InChIKey of 3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The InChIKey is CSHLRHGSCYKSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2)8-12-7-6-11-5-3-4-10/h11H,1,3-8H2,2H3.
What are the key properties of 3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine is sourced from PubChem (CID 114467702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).