N-(4,4-difluorocyclohexyl)oxan-3-amine

C11H19F2NO — CID 169190982

IUPACN-(4,4-difluorocyclohexyl)oxan-3-amine
SMILESFC1(F)CCC(NC2CCCOC2)CC1
InChIInChI=1S/C11H19F2NO/c12-11(13)5-3-9(4-6-11)14-10-2-1-7-15-8-10/h9-10,14H,1-8H2
InChIKeyXNDYVBXCRYLQSG-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.33
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)oxan-3-amine

N-(4,4-difluorocyclohexyl)oxan-3-amine (PubChem CID 169190982) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)oxan-3-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)oxan-3-amine
PubChem CID169190982
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC NameN-(4,4-difluorocyclohexyl)oxan-3-amine
SMILESFC1(F)CCC(NC2CCCOC2)CC1
InChIInChI=1S/C11H19F2NO/c12-11(13)5-3-9(4-6-11)14-10-2-1-7-15-8-10/h9-10,14H,1-8H2
InChIKeyXNDYVBXCRYLQSG-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)oxan-3-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)oxan-3-amine (CID 169190982) is N-(4,4-difluorocyclohexyl)oxan-3-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)oxan-3-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)oxan-3-amine is FC1(F)CCC(NC2CCCOC2)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)oxan-3-amine?
The InChIKey is XNDYVBXCRYLQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c12-11(13)5-3-9(4-6-11)14-10-2-1-7-15-8-10/h9-10,14H,1-8H2.
What are the key properties of N-(4,4-difluorocyclohexyl)oxan-3-amine?
N-(4,4-difluorocyclohexyl)oxan-3-amine has a molecular weight of 219.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)oxan-3-amine is sourced from PubChem (CID 169190982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).