N-fluoro-3-propoxypropan-1-amine

C6H14FNO — CID 154384683

IUPACN-fluoro-3-propoxypropan-1-amine
SMILESCCCOCCCNF
InChIInChI=1S/C6H14FNO/c1-2-5-9-6-3-4-8-7/h8H,2-6H2,1H3
InChIKeyOEAJRDUYJMTWNH-UHFFFAOYSA-N
MW135.18 g/mol
LogP1.28
Rot. Bonds6

About N-fluoro-3-propoxypropan-1-amine

N-fluoro-3-propoxypropan-1-amine (PubChem CID 154384683) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is N-fluoro-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-fluoro-3-propoxypropan-1-amine
PubChem CID154384683
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC NameN-fluoro-3-propoxypropan-1-amine
SMILESCCCOCCCNF
InChIInChI=1S/C6H14FNO/c1-2-5-9-6-3-4-8-7/h8H,2-6H2,1H3
InChIKeyOEAJRDUYJMTWNH-UHFFFAOYSA-N
XLogP1.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxypropylamine
CID 1672
Propanolamine ethyl ether
CID 22720
3-Isopropoxypropylamine
CID 76194
1-Propanamine, 3-butoxy-
CID 85461
Propylamine, 3-(2'-fluoroethoxy)-
CID 68969
3-Propoxypropylamine
CID 85579
3-Ethoxy-2-methylpropan-1-amine
CID 43175050
3-(2-Fluoroethoxy)propan-1-amine hydrochloride
CID 138040404
1-Propanamine, 3-methoxy-, hydrochloride
CID 12545980
1-ethoxy-N-fluoropropan-1-amine
CID 21657419
N-fluoro-1-methoxypropan-1-amine
CID 21657420
2-ethoxy-N-fluoroethanamine
CID 22088432

Frequently Asked Questions

What is the IUPAC name of N-fluoro-3-propoxypropan-1-amine?
The IUPAC name of N-fluoro-3-propoxypropan-1-amine (CID 154384683) is N-fluoro-3-propoxypropan-1-amine.
What is the SMILES notation for N-fluoro-3-propoxypropan-1-amine?
The canonical SMILES for N-fluoro-3-propoxypropan-1-amine is CCCOCCCNF.
What is the InChIKey of N-fluoro-3-propoxypropan-1-amine?
The InChIKey is OEAJRDUYJMTWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-2-5-9-6-3-4-8-7/h8H,2-6H2,1H3.
What are the key properties of N-fluoro-3-propoxypropan-1-amine?
N-fluoro-3-propoxypropan-1-amine has a molecular weight of 135.18 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3-propoxypropan-1-amine is sourced from PubChem (CID 154384683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).