N-(2-fluoroethyl)-2,2-dimethyloxan-4-amine

C9H18FNO — CID 83032572

IUPACN-(2-fluoroethyl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCCF)CCO1
InChIInChI=1S/C9H18FNO/c1-9(2)7-8(3-6-12-9)11-5-4-10/h8,11H,3-7H2,1-2H3
InChIKeyQPIIOFWUJXBHII-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.50
Rot. Bonds3

About N-(2-fluoroethyl)-2,2-dimethyloxan-4-amine

N-(2-fluoroethyl)-2,2-dimethyloxan-4-amine (PubChem CID 83032572) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2,2-dimethyloxan-4-amine
PubChem CID83032572
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC NameN-(2-fluoroethyl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NCCF)CCO1
InChIInChI=1S/C9H18FNO/c1-9(2)7-8(3-6-12-9)11-5-4-10/h8,11H,3-7H2,1-2H3
InChIKeyQPIIOFWUJXBHII-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-(2-fluoroethyl)-2,2-dimethyloxan-4-amine?
The IUPAC name of N-(2-fluoroethyl)-2,2-dimethyloxan-4-amine (CID 83032572) is N-(2-fluoroethyl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-(2-fluoroethyl)-2,2-dimethyloxan-4-amine is CC1(C)CC(NCCF)CCO1.
What is the InChIKey of N-(2-fluoroethyl)-2,2-dimethyloxan-4-amine?
The InChIKey is QPIIOFWUJXBHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(2)7-8(3-6-12-9)11-5-4-10/h8,11H,3-7H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-2,2-dimethyloxan-4-amine?
N-(2-fluoroethyl)-2,2-dimethyloxan-4-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-(2-fluoroethyl)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 83032572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).