N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine

C10H20FNO — CID 134166296

IUPACN-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(F)CCOCC1
InChIInChI=1S/C10H20FNO/c1-9(2,3)12-8-10(11)4-6-13-7-5-10/h12H,4-8H2,1-3H3
InChIKeyIBBQFRNBBJORDC-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.89
Rot. Bonds2

About N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine

N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 134166296) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID134166296
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC NameN-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(F)CCOCC1
InChIInChI=1S/C10H20FNO/c1-9(2,3)12-8-10(11)4-6-13-7-5-10/h12H,4-8H2,1-3H3
InChIKeyIBBQFRNBBJORDC-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine (CID 134166296) is N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(F)CCOCC1.
What is the InChIKey of N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is IBBQFRNBBJORDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(2,3)12-8-10(11)4-6-13-7-5-10/h12H,4-8H2,1-3H3.
What are the key properties of N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine?
N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 189.27 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 134166296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).