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

C8H21F2NO — CID 142390458

IUPAC3,3-difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen
SMILESCC.CNCCC(F)(F)CCO.[H][H]
InChIInChI=1S/C6H13F2NO.C2H6.H2/c1-9-4-2-6(7,8)3-5-10;1-2;/h9-10H,2-5H2,1H3;1-2H3;1H
InChIKeyDFRYFVUHMPJXCA-UHFFFAOYSA-N
MW185.26 g/mol
LogP1.89
Rot. Bonds5

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

3,3-difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen (PubChem CID 142390458) has the molecular formula C8H21F2NO and a molecular weight of 185.26 g/mol. Its IUPAC name is 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen.

Molecular Properties

Compound Name3,3-difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen
PubChem CID142390458
Molecular FormulaC8H21F2NO
Molecular Weight185.26 g/mol
Exact Mass185.16
IUPAC Name3,3-difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen
SMILESCC.CNCCC(F)(F)CCO.[H][H]
InChIInChI=1S/C6H13F2NO.C2H6.H2/c1-9-4-2-6(7,8)3-5-10;1-2;/h9-10H,2-5H2,1H3;1-2H3;1H
InChIKeyDFRYFVUHMPJXCA-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.26
LogP ≤ 51.89
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;molecular hydrogen?
The IUPAC name of 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen (CID 142390458) is 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen.
What is the SMILES notation for 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen?
The canonical SMILES for 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen is CC.CNCCC(F)(F)CCO.[H][H].
What is the InChIKey of 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen?
The InChIKey is DFRYFVUHMPJXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO.C2H6.H2/c1-9-4-2-6(7,8)3-5-10;1-2;/h9-10H,2-5H2,1H3;1-2H3;1H.
What are the key properties of 3,3-difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen?
3,3-difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen has a molecular weight of 185.26 g/mol, XLogP of 1.89, 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;molecular hydrogen is sourced from PubChem (CID 142390458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).