5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol

C13H26F3NO — CID 79061781

IUPAC5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol
SMILESCCN(CC)C(CC)(CC)C(O)CCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-5-12(6-2,17(7-3)8-4)11(18)9-10-13(14,15)16/h11,18H,5-10H2,1-4H3
InChIKeyCWVRTSKLNPWFBD-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.59
Rot. Bonds8

About 5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol

5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol (PubChem CID 79061781) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol.

Molecular Properties

Compound Name5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol
PubChem CID79061781
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol
SMILESCCN(CC)C(CC)(CC)C(O)CCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-5-12(6-2,17(7-3)8-4)11(18)9-10-13(14,15)16/h11,18H,5-10H2,1-4H3
InChIKeyCWVRTSKLNPWFBD-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol?
The IUPAC name of 5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol (CID 79061781) is 5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol.
What is the SMILES notation for 5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol?
The canonical SMILES for 5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol is CCN(CC)C(CC)(CC)C(O)CCC(F)(F)F.
What is the InChIKey of 5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol?
The InChIKey is CWVRTSKLNPWFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-5-12(6-2,17(7-3)8-4)11(18)9-10-13(14,15)16/h11,18H,5-10H2,1-4H3.
What are the key properties of 5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol?
5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol has a molecular weight of 269.35 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-5-ethyl-1,1,1-trifluoroheptan-4-ol is sourced from PubChem (CID 79061781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).