N-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine

C7H16FNO — CID 104760302

IUPACN-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCCF
InChIInChI=1S/C7H16FNO/c1-7(2,10-3)6-9-5-4-8/h9H,4-6H2,1-3H3
InChIKeyUDJTVJZFKCWZMY-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.97
Rot. Bonds5

About N-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine

N-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine (PubChem CID 104760302) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine
PubChem CID104760302
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC NameN-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)CNCCF
InChIInChI=1S/C7H16FNO/c1-7(2,10-3)6-9-5-4-8/h9H,4-6H2,1-3H3
InChIKeyUDJTVJZFKCWZMY-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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)-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine (CID 104760302) is N-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine is COC(C)(C)CNCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine?
The InChIKey is UDJTVJZFKCWZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-7(2,10-3)6-9-5-4-8/h9H,4-6H2,1-3H3.
What are the key properties of N-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine?
N-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine has a molecular weight of 149.21 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 104760302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).