N-(4-fluorocyclohexyl)oxan-3-amine

C11H20FNO — CID 130726277

IUPACN-(4-fluorocyclohexyl)oxan-3-amine
SMILESFC1CCC(NC2CCCOC2)CC1
InChIInChI=1S/C11H20FNO/c12-9-3-5-10(6-4-9)13-11-2-1-7-14-8-11/h9-11,13H,1-8H2
InChIKeyVMZQWVWNQAAYDF-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.04
Rot. Bonds2

About N-(4-fluorocyclohexyl)oxan-3-amine

N-(4-fluorocyclohexyl)oxan-3-amine (PubChem CID 130726277) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is N-(4-fluorocyclohexyl)oxan-3-amine.

Molecular Properties

Compound NameN-(4-fluorocyclohexyl)oxan-3-amine
PubChem CID130726277
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC NameN-(4-fluorocyclohexyl)oxan-3-amine
SMILESFC1CCC(NC2CCCOC2)CC1
InChIInChI=1S/C11H20FNO/c12-9-3-5-10(6-4-9)13-11-2-1-7-14-8-11/h9-11,13H,1-8H2
InChIKeyVMZQWVWNQAAYDF-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorocyclohexyl)oxan-3-amine?
The IUPAC name of N-(4-fluorocyclohexyl)oxan-3-amine (CID 130726277) is N-(4-fluorocyclohexyl)oxan-3-amine.
What is the SMILES notation for N-(4-fluorocyclohexyl)oxan-3-amine?
The canonical SMILES for N-(4-fluorocyclohexyl)oxan-3-amine is FC1CCC(NC2CCCOC2)CC1.
What is the InChIKey of N-(4-fluorocyclohexyl)oxan-3-amine?
The InChIKey is VMZQWVWNQAAYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c12-9-3-5-10(6-4-9)13-11-2-1-7-14-8-11/h9-11,13H,1-8H2.
What are the key properties of N-(4-fluorocyclohexyl)oxan-3-amine?
N-(4-fluorocyclohexyl)oxan-3-amine has a molecular weight of 201.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorocyclohexyl)oxan-3-amine is sourced from PubChem (CID 130726277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).