3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol

C14H28F3NO — CID 115516163

IUPAC3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol
SMILESCCN(CC)C(CC)(CC)C(O)CCCC(F)(F)F
InChIInChI=1S/C14H28F3NO/c1-5-13(6-2,18(7-3)8-4)12(19)10-9-11-14(15,16)17/h12,19H,5-11H2,1-4H3
InChIKeyHIRDEWIJJNVTCN-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.98
Rot. Bonds9

About 3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol

3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol (PubChem CID 115516163) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol.

Molecular Properties

Compound Name3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol
PubChem CID115516163
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol
SMILESCCN(CC)C(CC)(CC)C(O)CCCC(F)(F)F
InChIInChI=1S/C14H28F3NO/c1-5-13(6-2,18(7-3)8-4)12(19)10-9-11-14(15,16)17/h12,19H,5-11H2,1-4H3
InChIKeyHIRDEWIJJNVTCN-UHFFFAOYSA-N
XLogP3.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol?
The IUPAC name of 3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol (CID 115516163) is 3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol.
What is the SMILES notation for 3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol?
The canonical SMILES for 3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol is CCN(CC)C(CC)(CC)C(O)CCCC(F)(F)F.
What is the InChIKey of 3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol?
The InChIKey is HIRDEWIJJNVTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-5-13(6-2,18(7-3)8-4)12(19)10-9-11-14(15,16)17/h12,19H,5-11H2,1-4H3.
What are the key properties of 3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol?
3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol has a molecular weight of 283.38 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol is sourced from PubChem (CID 115516163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).