3,3-difluoro-5-(methylamino)pentan-1-ol;ethane

C8H19F2NO — CID 142295329

IUPAC3,3-difluoro-5-(methylamino)pentan-1-ol;ethane
SMILESCC.CNCCC(F)(F)CCO
InChIInChI=1S/C6H13F2NO.C2H6/c1-9-4-2-6(7,8)3-5-10;1-2/h9-10H,2-5H2,1H3;1-2H3
InChIKeyLWNRICZQOJRNFL-UHFFFAOYSA-N
MW183.24 g/mol
LogP1.64
Rot. Bonds5

About 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane

3,3-difluoro-5-(methylamino)pentan-1-ol;ethane (PubChem CID 142295329) has the molecular formula C8H19F2NO and a molecular weight of 183.24 g/mol. Its IUPAC name is 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane.

Molecular Properties

Compound Name3,3-difluoro-5-(methylamino)pentan-1-ol;ethane
PubChem CID142295329
Molecular FormulaC8H19F2NO
Molecular Weight183.24 g/mol
Exact Mass183.14
IUPAC Name3,3-difluoro-5-(methylamino)pentan-1-ol;ethane
SMILESCC.CNCCC(F)(F)CCO
InChIInChI=1S/C6H13F2NO.C2H6/c1-9-4-2-6(7,8)3-5-10;1-2/h9-10H,2-5H2,1H3;1-2H3
InChIKeyLWNRICZQOJRNFL-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane?
The IUPAC name of 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane (CID 142295329) is 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane.
What is the SMILES notation for 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane?
The canonical SMILES for 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane is CC.CNCCC(F)(F)CCO.
What is the InChIKey of 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane?
The InChIKey is LWNRICZQOJRNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO.C2H6/c1-9-4-2-6(7,8)3-5-10;1-2/h9-10H,2-5H2,1H3;1-2H3.
What are the key properties of 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane?
3,3-difluoro-5-(methylamino)pentan-1-ol;ethane has a molecular weight of 183.24 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane is sourced from PubChem (CID 142295329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).