5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol

C12H24F3NO — CID 79063811

IUPAC5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol
SMILESCCN(CC)C(C)(CC)C(O)CCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-5-11(4,16(6-2)7-3)10(17)8-9-12(13,14)15/h10,17H,5-9H2,1-4H3
InChIKeyQMRHZXGDAAKBHQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.20
Rot. Bonds7

About 5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol

5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol (PubChem CID 79063811) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol.

Molecular Properties

Compound Name5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol
PubChem CID79063811
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol
SMILESCCN(CC)C(C)(CC)C(O)CCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-5-11(4,16(6-2)7-3)10(17)8-9-12(13,14)15/h10,17H,5-9H2,1-4H3
InChIKeyQMRHZXGDAAKBHQ-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol?
The IUPAC name of 5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol (CID 79063811) is 5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol.
What is the SMILES notation for 5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol?
The canonical SMILES for 5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol is CCN(CC)C(C)(CC)C(O)CCC(F)(F)F.
What is the InChIKey of 5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol?
The InChIKey is QMRHZXGDAAKBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-5-11(4,16(6-2)7-3)10(17)8-9-12(13,14)15/h10,17H,5-9H2,1-4H3.
What are the key properties of 5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol?
5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol has a molecular weight of 255.32 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol is sourced from PubChem (CID 79063811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).