N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine

C9H18FNO — CID 177265532

IUPACN-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCC1(F)COC1
InChIInChI=1S/C9H18FNO/c1-8(2,3)4-11-5-9(10)6-12-7-9/h11H,4-7H2,1-3H3
InChIKeyNAADKUFFYAXRAM-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.36
Rot. Bonds3

About N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine

N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 177265532) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID177265532
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC NameN-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCC1(F)COC1
InChIInChI=1S/C9H18FNO/c1-8(2,3)4-11-5-9(10)6-12-7-9/h11H,4-7H2,1-3H3
InChIKeyNAADKUFFYAXRAM-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine (CID 177265532) is N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine is CC(C)(C)CNCC1(F)COC1.
What is the InChIKey of N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is NAADKUFFYAXRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2,3)4-11-5-9(10)6-12-7-9/h11H,4-7H2,1-3H3.
What are the key properties of N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine?
N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorooxetan-3-yl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 177265532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).