2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol

C11H22F3NO — CID 61046763

IUPAC2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol
SMILESCCCCCCC(C)(CO)NCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-4-5-6-7-10(2,9-16)15-8-11(12,13)14/h15-16H,3-9H2,1-2H3
InChIKeyXJSHPFVNEQBKRU-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.86
Rot. Bonds8

About 2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol

2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol (PubChem CID 61046763) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol
PubChem CID61046763
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol
SMILESCCCCCCC(C)(CO)NCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-4-5-6-7-10(2,9-16)15-8-11(12,13)14/h15-16H,3-9H2,1-2H3
InChIKeyXJSHPFVNEQBKRU-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-((3-(Dimethylamino)propyl)amino)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-14-(trifluoromethyl)pentadecan-2-ol
CID 3023873
1-((3-(Dimethylamino)propyl)amino)-4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecan-2-ol
CID 3018416
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3-Fluoro-2-(pentylamino)octan-1-ol
CID 88612749
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CID 132059658
2,2-Difluoro-3-(5-methylundecan-5-ylamino)propan-1-ol
CID 155450799
3,3-Difluoro-4-(5-methylundecan-5-ylamino)butan-1-ol
CID 155451069
2,2-Difluoro-4-(2-methylheptan-2-ylamino)butan-1-ol
CID 155451210
(5,5-Difluoro-6-propan-2-ylpiperidin-2-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol (CID 61046763) is 2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol is CCCCCCC(C)(CO)NCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol?
The InChIKey is XJSHPFVNEQBKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-4-5-6-7-10(2,9-16)15-8-11(12,13)14/h15-16H,3-9H2,1-2H3.
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol?
2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol has a molecular weight of 241.30 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethylamino)octan-1-ol is sourced from PubChem (CID 61046763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).