N-(3-fluoropropoxy)ethanamine

C5H12FNO — CID 89303756

IUPACN-(3-fluoropropoxy)ethanamine
SMILESCCNOCCCF
InChIInChI=1S/C5H12FNO/c1-2-7-8-5-3-4-6/h7H,2-5H2,1H3
InChIKeyQFTSQVVZKZKVCE-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.89
Rot. Bonds5

About N-(3-fluoropropoxy)ethanamine

N-(3-fluoropropoxy)ethanamine (PubChem CID 89303756) has the molecular formula C5H12FNO and a molecular weight of 121.16 g/mol. Its IUPAC name is N-(3-fluoropropoxy)ethanamine.

Molecular Properties

Compound NameN-(3-fluoropropoxy)ethanamine
PubChem CID89303756
Molecular FormulaC5H12FNO
Molecular Weight121.16 g/mol
Exact Mass121.09
IUPAC NameN-(3-fluoropropoxy)ethanamine
SMILESCCNOCCCF
InChIInChI=1S/C5H12FNO/c1-2-7-8-5-3-4-6/h7H,2-5H2,1H3
InChIKeyQFTSQVVZKZKVCE-UHFFFAOYSA-N
XLogP0.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethanamine, N-ethoxy-
CID 99453
Ethoxy(propan-2-yl)amine
CID 14849020
Ethoxy(ethyl)amine hydrochloride
CID 22415890
N-Ethoxypropane-1,3-diamine
CID 3018228
1-Propanamine, N-methoxy-
CID 11815284
N-ethoxypropan-1-amine
CID 18936580
N-propoxypropan-1-amine
CID 20470531
Isopropoxy propylamine
CID 21895890
N-propan-2-yloxyethanamine
CID 22271690
N-propoxybutan-1-amine
CID 22322685
N-propoxypropan-2-amine
CID 53716767
N-propoxyethanamine
CID 53968086

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropoxy)ethanamine?
The IUPAC name of N-(3-fluoropropoxy)ethanamine (CID 89303756) is N-(3-fluoropropoxy)ethanamine.
What is the SMILES notation for N-(3-fluoropropoxy)ethanamine?
The canonical SMILES for N-(3-fluoropropoxy)ethanamine is CCNOCCCF.
What is the InChIKey of N-(3-fluoropropoxy)ethanamine?
The InChIKey is QFTSQVVZKZKVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO/c1-2-7-8-5-3-4-6/h7H,2-5H2,1H3.
What are the key properties of N-(3-fluoropropoxy)ethanamine?
N-(3-fluoropropoxy)ethanamine has a molecular weight of 121.16 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropoxy)ethanamine is sourced from PubChem (CID 89303756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).