5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol

C9H18F3NO — CID 66037252

IUPAC5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol
SMILESCC(C)NCC(C)(O)CCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2)13-6-8(3,14)4-5-9(10,11)12/h7,13-14H,4-6H2,1-3H3
InChIKeyFORQOWNEVCTEQU-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.08
Rot. Bonds5

About 5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol

5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol (PubChem CID 66037252) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol
PubChem CID66037252
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol
SMILESCC(C)NCC(C)(O)CCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2)13-6-8(3,14)4-5-9(10,11)12/h7,13-14H,4-6H2,1-3H3
InChIKeyFORQOWNEVCTEQU-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol (CID 66037252) is 5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol is CC(C)NCC(C)(O)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol?
The InChIKey is FORQOWNEVCTEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(2)13-6-8(3,14)4-5-9(10,11)12/h7,13-14H,4-6H2,1-3H3.
What are the key properties of 5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol?
5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol has a molecular weight of 213.24 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 66037252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).