4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol

C9H18F3NO — CID 139686700

IUPAC4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESCCN(CC)CCC(C)(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-4-13(5-2)7-6-8(3,14)9(10,11)12/h14H,4-7H2,1-3H3
InChIKeyOCDRUXBBXSVINA-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.03
Rot. Bonds5

About 4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol

4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol (PubChem CID 139686700) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
PubChem CID139686700
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESCCN(CC)CCC(C)(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-4-13(5-2)7-6-8(3,14)9(10,11)12/h14H,4-7H2,1-3H3
InChIKeyOCDRUXBBXSVINA-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol?
The IUPAC name of 4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol (CID 139686700) is 4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol.
What is the SMILES notation for 4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol?
The canonical SMILES for 4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol is CCN(CC)CCC(C)(O)C(F)(F)F.
What is the InChIKey of 4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol?
The InChIKey is OCDRUXBBXSVINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-4-13(5-2)7-6-8(3,14)9(10,11)12/h14H,4-7H2,1-3H3.
What are the key properties of 4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol?
4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol has a molecular weight of 213.24 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol is sourced from PubChem (CID 139686700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).