1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol

C11H22F3NO — CID 66001874

IUPAC1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol
SMILESCC(O)(CCNC(C)(C)C)CCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2,3)15-8-7-10(4,16)5-6-11(12,13)14/h15-16H,5-8H2,1-4H3
InChIKeyXGCXUJVZCAZJMR-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.86
Rot. Bonds5

About 1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol

1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol (PubChem CID 66001874) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol
PubChem CID66001874
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol
SMILESCC(O)(CCNC(C)(C)C)CCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2,3)15-8-7-10(4,16)5-6-11(12,13)14/h15-16H,5-8H2,1-4H3
InChIKeyXGCXUJVZCAZJMR-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze 1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 90418902
CID 90418902
CID 90418931
CID 90418931
CID 90419016
CID 90419016
CID 90419028
CID 90419028
CID 90419711
CID 90419711
CID 134166297
CID 134166297
CID 138581103
CID 138581103
CID 144699596
CID 144699596
CID 177037256
CID 177037256
CID 178143279
CID 178143279
CID 64566374
CID 64566374
CID 65984285
CID 65984285

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol?
The IUPAC name of 1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol (CID 66001874) is 1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol.
What is the SMILES notation for 1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol?
The canonical SMILES for 1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol is CC(O)(CCNC(C)(C)C)CCC(F)(F)F.
What is the InChIKey of 1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol?
The InChIKey is XGCXUJVZCAZJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(2,3)15-8-7-10(4,16)5-6-11(12,13)14/h15-16H,5-8H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol?
1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol has a molecular weight of 241.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-6,6,6-trifluoro-3-methylhexan-3-ol is sourced from PubChem (CID 66001874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).