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

C9H18FNO — CID 149234668

IUPACN-[(4-fluorooxan-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(F)CCOCC1
InChIInChI=1S/C9H18FNO/c1-8(2)11-7-9(10)3-5-12-6-4-9/h8,11H,3-7H2,1-2H3
InChIKeyXKZFBFUUZQLALO-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds3

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

N-[(4-fluorooxan-4-yl)methyl]propan-2-amine (PubChem CID 149234668) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is N-[(4-fluorooxan-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-fluorooxan-4-yl)methyl]propan-2-amine
PubChem CID149234668
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC NameN-[(4-fluorooxan-4-yl)methyl]propan-2-amine
SMILESCC(C)NCC1(F)CCOCC1
InChIInChI=1S/C9H18FNO/c1-8(2)11-7-9(10)3-5-12-6-4-9/h8,11H,3-7H2,1-2H3
InChIKeyXKZFBFUUZQLALO-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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]propan-2-amine?
The IUPAC name of N-[(4-fluorooxan-4-yl)methyl]propan-2-amine (CID 149234668) is N-[(4-fluorooxan-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-fluorooxan-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-fluorooxan-4-yl)methyl]propan-2-amine is CC(C)NCC1(F)CCOCC1.
What is the InChIKey of N-[(4-fluorooxan-4-yl)methyl]propan-2-amine?
The InChIKey is XKZFBFUUZQLALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)11-7-9(10)3-5-12-6-4-9/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[(4-fluorooxan-4-yl)methyl]propan-2-amine?
N-[(4-fluorooxan-4-yl)methyl]propan-2-amine has a molecular weight of 175.25 g/mol, XLogP of 1.50, 3 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]propan-2-amine is sourced from PubChem (CID 149234668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).