N-(2-fluoroethyl)-3-methoxybutan-1-amine

C7H16FNO — CID 131114109

IUPACN-(2-fluoroethyl)-3-methoxybutan-1-amine
SMILESCOC(C)CCNCCF
InChIInChI=1S/C7H16FNO/c1-7(10-2)3-5-9-6-4-8/h7,9H,3-6H2,1-2H3
InChIKeyULZRXUZHAHXCMD-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.97
Rot. Bonds6

About N-(2-fluoroethyl)-3-methoxybutan-1-amine

N-(2-fluoroethyl)-3-methoxybutan-1-amine (PubChem CID 131114109) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-methoxybutan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-methoxybutan-1-amine
PubChem CID131114109
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC NameN-(2-fluoroethyl)-3-methoxybutan-1-amine
SMILESCOC(C)CCNCCF
InChIInChI=1S/C7H16FNO/c1-7(10-2)3-5-9-6-4-8/h7,9H,3-6H2,1-2H3
InChIKeyULZRXUZHAHXCMD-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3-methoxybutan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-3-methoxybutan-1-amine (CID 131114109) is N-(2-fluoroethyl)-3-methoxybutan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-3-methoxybutan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-3-methoxybutan-1-amine is COC(C)CCNCCF.
What is the InChIKey of N-(2-fluoroethyl)-3-methoxybutan-1-amine?
The InChIKey is ULZRXUZHAHXCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-7(10-2)3-5-9-6-4-8/h7,9H,3-6H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-3-methoxybutan-1-amine?
N-(2-fluoroethyl)-3-methoxybutan-1-amine has a molecular weight of 149.21 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-methoxybutan-1-amine is sourced from PubChem (CID 131114109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).