1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol

C11H22F3NO — CID 63900457

IUPAC1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
SMILESCC(C)(C)CC(C)(C)NCC(O)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2,3)7-10(4,5)15-6-8(16)11(12,13)14/h8,15-16H,6-7H2,1-5H3
InChIKeyFSTAQUZKHMAIRA-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.71
Rot. Bonds4

About 1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol

1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol (PubChem CID 63900457) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
PubChem CID63900457
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
SMILESCC(C)(C)CC(C)(C)NCC(O)C(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2,3)7-10(4,5)15-6-8(16)11(12,13)14/h8,15-16H,6-7H2,1-5H3
InChIKeyFSTAQUZKHMAIRA-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 63934217
(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
CID 58361159
1,1,1-trifluoro-3-(hydroxyamino)propan-2-ol
CID 18071378
1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol
CID 123282561
N-tert-butyl-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
CID 79257058
N-(2,2,2-trifluoroethyl)-N'-(2,4,4-trimethylpentan-2-yl)ethane-1,2-diamine
CID 79260502
2,4,4-trimethyl-N-(2-methylpentyl)pentan-2-amine
CID 43731065
ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate
CID 103246903
1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 54940811
1-(1-methoxypropan-2-yloxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 106989714
1,1,1-trifluoro-3-(pentylamino)propan-2-ol
CID 63900220
N-(2-bromoethyl)-2,4,4-trimethylpentan-2-amine
CID 91622619

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol (CID 63900457) is 1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol is CC(C)(C)CC(C)(C)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The InChIKey is FSTAQUZKHMAIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(2,3)7-10(4,5)15-6-8(16)11(12,13)14/h8,15-16H,6-7H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol has a molecular weight of 241.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 63900457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).