1-(diethylamino)-4,4-difluoropentan-2-ol

C9H19F2NO — CID 88869806

IUPAC1-(diethylamino)-4,4-difluoropentan-2-ol
SMILESCCN(CC)CC(O)CC(C)(F)F
InChIInChI=1S/C9H19F2NO/c1-4-12(5-2)7-8(13)6-9(3,10)11/h8,13H,4-7H2,1-3H3
InChIKeyXRVLWZVJVCLGIG-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.73
Rot. Bonds6

About 1-(diethylamino)-4,4-difluoropentan-2-ol

1-(diethylamino)-4,4-difluoropentan-2-ol (PubChem CID 88869806) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-(diethylamino)-4,4-difluoropentan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-4,4-difluoropentan-2-ol
PubChem CID88869806
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name1-(diethylamino)-4,4-difluoropentan-2-ol
SMILESCCN(CC)CC(O)CC(C)(F)F
InChIInChI=1S/C9H19F2NO/c1-4-12(5-2)7-8(13)6-9(3,10)11/h8,13H,4-7H2,1-3H3
InChIKeyXRVLWZVJVCLGIG-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-4,4-difluoropentan-2-ol?
The IUPAC name of 1-(diethylamino)-4,4-difluoropentan-2-ol (CID 88869806) is 1-(diethylamino)-4,4-difluoropentan-2-ol.
What is the SMILES notation for 1-(diethylamino)-4,4-difluoropentan-2-ol?
The canonical SMILES for 1-(diethylamino)-4,4-difluoropentan-2-ol is CCN(CC)CC(O)CC(C)(F)F.
What is the InChIKey of 1-(diethylamino)-4,4-difluoropentan-2-ol?
The InChIKey is XRVLWZVJVCLGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-4-12(5-2)7-8(13)6-9(3,10)11/h8,13H,4-7H2,1-3H3.
What are the key properties of 1-(diethylamino)-4,4-difluoropentan-2-ol?
1-(diethylamino)-4,4-difluoropentan-2-ol has a molecular weight of 195.25 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-4,4-difluoropentan-2-ol is sourced from PubChem (CID 88869806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).