1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine

C13H23F2NO — CID 114225124

IUPAC1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(CC2CCC(F)(F)C2)CCOCC1
InChIInChI=1S/C13H23F2NO/c1-16-10-12(4-6-17-7-5-12)8-11-2-3-13(14,15)9-11/h11,16H,2-10H2,1H3
InChIKeySYIQGTIFQLNVIX-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.83
Rot. Bonds4

About 1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine

1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine (PubChem CID 114225124) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine
PubChem CID114225124
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine
SMILESCNCC1(CC2CCC(F)(F)C2)CCOCC1
InChIInChI=1S/C13H23F2NO/c1-16-10-12(4-6-17-7-5-12)8-11-2-3-13(14,15)9-11/h11,16H,2-10H2,1H3
InChIKeySYIQGTIFQLNVIX-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine (CID 114225124) is 1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine is CNCC1(CC2CCC(F)(F)C2)CCOCC1.
What is the InChIKey of 1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine?
The InChIKey is SYIQGTIFQLNVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-16-10-12(4-6-17-7-5-12)8-11-2-3-13(14,15)9-11/h11,16H,2-10H2,1H3.
What are the key properties of 1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine?
1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine has a molecular weight of 247.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,3-difluorocyclopentyl)methyl]oxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 114225124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).