1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol

C17H30F6O — CID 89085661

IUPAC1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol
SMILESCCCC(CCCC(C)CC)CCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H30F6O/c1-4-8-14(10-6-9-13(3)5-2)11-7-12-15(24,16(18,19)20)17(21,22)23/h13-14,24H,4-12H2,1-3H3
InChIKeyTWYICZDVKVSUQX-UHFFFAOYSA-N
MW364.41 g/mol
LogP6.65
Rot. Bonds11

About 1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol

1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol (PubChem CID 89085661) has the molecular formula C17H30F6O and a molecular weight of 364.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol
PubChem CID89085661
Molecular FormulaC17H30F6O
Molecular Weight364.41 g/mol
Exact Mass364.22
IUPAC Name1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol
SMILESCCCC(CCCC(C)CC)CCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H30F6O/c1-4-8-14(10-6-9-13(3)5-2)11-7-12-15(24,16(18,19)20)17(21,22)23/h13-14,24H,4-12H2,1-3H3
InChIKeyTWYICZDVKVSUQX-UHFFFAOYSA-N
XLogP6.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol?
The IUPAC name of 1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol (CID 89085661) is 1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol is CCCC(CCCC(C)CC)CCCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol?
The InChIKey is TWYICZDVKVSUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F6O/c1-4-8-14(10-6-9-13(3)5-2)11-7-12-15(24,16(18,19)20)17(21,22)23/h13-14,24H,4-12H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol?
1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol has a molecular weight of 364.41 g/mol, XLogP of 6.65, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-10-methyl-6-propyl-2-(trifluoromethyl)dodecan-2-ol is sourced from PubChem (CID 89085661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).