N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine

C7H14FNO — CID 121359017

IUPACN-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine
SMILESCCN(C)CC1(F)COC1
InChIInChI=1S/C7H14FNO/c1-3-9(2)4-7(8)5-10-6-7/h3-6H2,1-2H3
InChIKeyZCDYSYCRDAKMJG-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.68
Rot. Bonds3

About N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine

N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine (PubChem CID 121359017) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine
PubChem CID121359017
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC NameN-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine
SMILESCCN(C)CC1(F)COC1
InChIInChI=1S/C7H14FNO/c1-3-9(2)4-7(8)5-10-6-7/h3-6H2,1-2H3
InChIKeyZCDYSYCRDAKMJG-UHFFFAOYSA-N
XLogP0.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine?
The IUPAC name of N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine (CID 121359017) is N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine is CCN(C)CC1(F)COC1.
What is the InChIKey of N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine?
The InChIKey is ZCDYSYCRDAKMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-3-9(2)4-7(8)5-10-6-7/h3-6H2,1-2H3.
What are the key properties of N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine?
N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine has a molecular weight of 147.19 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 121359017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).