1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol

C9H19F2NO — CID 156547545

IUPAC1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol
SMILESCC(C)C(F)(F)C(C)(O)CN(C)C
InChIInChI=1S/C9H19F2NO/c1-7(2)9(10,11)8(3,13)6-12(4)5/h7,13H,6H2,1-5H3
InChIKeyGTIDWIJMRCDINV-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.59
Rot. Bonds4

About 1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol

1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol (PubChem CID 156547545) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol
PubChem CID156547545
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol
SMILESCC(C)C(F)(F)C(C)(O)CN(C)C
InChIInChI=1S/C9H19F2NO/c1-7(2)9(10,11)8(3,13)6-12(4)5/h7,13H,6H2,1-5H3
InChIKeyGTIDWIJMRCDINV-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol (CID 156547545) is 1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol is CC(C)C(F)(F)C(C)(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol?
The InChIKey is GTIDWIJMRCDINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-7(2)9(10,11)8(3,13)6-12(4)5/h7,13H,6H2,1-5H3.
What are the key properties of 1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol?
1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol has a molecular weight of 195.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3,3-difluoro-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 156547545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).