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

C10H20F3NO — CID 79064516

IUPAC5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol
SMILESCCC(C)(C(O)CCC(F)(F)F)N(C)C
InChIInChI=1S/C10H20F3NO/c1-5-9(2,14(3)4)8(15)6-7-10(11,12)13/h8,15H,5-7H2,1-4H3
InChIKeyKBHLPVVWFVBTBL-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.42
Rot. Bonds5

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

5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol (PubChem CID 79064516) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol.

Molecular Properties

Compound Name5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol
PubChem CID79064516
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol
SMILESCCC(C)(C(O)CCC(F)(F)F)N(C)C
InChIInChI=1S/C10H20F3NO/c1-5-9(2,14(3)4)8(15)6-7-10(11,12)13/h8,15H,5-7H2,1-4H3
InChIKeyKBHLPVVWFVBTBL-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol?
The IUPAC name of 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol (CID 79064516) is 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol.
What is the SMILES notation for 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol?
The canonical SMILES for 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol is CCC(C)(C(O)CCC(F)(F)F)N(C)C.
What is the InChIKey of 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol?
The InChIKey is KBHLPVVWFVBTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-5-9(2,14(3)4)8(15)6-7-10(11,12)13/h8,15H,5-7H2,1-4H3.
What are the key properties of 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol?
5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol has a molecular weight of 227.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1,1,1-trifluoro-5-methylheptan-4-ol is sourced from PubChem (CID 79064516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).