3,6-diamino-1,1,1-trifluorohexan-2-ol

C6H13F3N2O — CID 15344721

IUPAC3,6-diamino-1,1,1-trifluorohexan-2-ol
SMILESNCCCC(N)C(O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O/c7-6(8,9)5(12)4(11)2-1-3-10/h4-5,12H,1-3,10-11H2
InChIKeyFEOKEYKSFQCILF-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.02
Rot. Bonds4

About 3,6-diamino-1,1,1-trifluorohexan-2-ol

3,6-diamino-1,1,1-trifluorohexan-2-ol (PubChem CID 15344721) has the molecular formula C6H13F3N2O and a molecular weight of 186.18 g/mol. Its IUPAC name is 3,6-diamino-1,1,1-trifluorohexan-2-ol.

Molecular Properties

Compound Name3,6-diamino-1,1,1-trifluorohexan-2-ol
PubChem CID15344721
Molecular FormulaC6H13F3N2O
Molecular Weight186.18 g/mol
Exact Mass186.10
IUPAC Name3,6-diamino-1,1,1-trifluorohexan-2-ol
SMILESNCCCC(N)C(O)C(F)(F)F
InChIInChI=1S/C6H13F3N2O/c7-6(8,9)5(12)4(11)2-1-3-10/h4-5,12H,1-3,10-11H2
InChIKeyFEOKEYKSFQCILF-UHFFFAOYSA-N
XLogP-0.02
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,6-diamino-1,1,1-trifluorohexan-2-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

5-Amino-1,1,1,2,2,3,3-heptafluoroheptan-4-ol--hydrogen chloride (1/1)
CID 24190435
1-Amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
CID 14914914
2-Amino-4,4,5,5,6,6,6-heptafluorohexan-3-ol
CID 62948392
rac-(1R,2R)-2-amino-4,4-difluorocyclopentan-1-ol
CID 105427899
rac-(1R,6S)-6-amino-2,2-difluorocyclohexan-1-ol hydrochloride
CID 121553414
5-Amino-1,1,1,2,2,3,3-heptafluoroheptan-4-ol
CID 418964
rac-(1R,5S)-5-amino-2,2-difluorocyclopentan-1-ol hydrochloride
CID 137943595
1,4-Diamino-6,6-difluorononan-5-ol
CID 11009190
4,7-Diamino-1,1,1,2,2-pentafluoroheptan-3-ol
CID 19419150
3-Amino-1-fluorohexan-2-ol
CID 20670268
4-Amino-1,1,1-trifluorohexan-3-ol
CID 20671603
3-Amino-1,1,1-trifluoroheptan-2-OL
CID 22121539

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-1,1,1-trifluorohexan-2-ol?
The IUPAC name of 3,6-diamino-1,1,1-trifluorohexan-2-ol (CID 15344721) is 3,6-diamino-1,1,1-trifluorohexan-2-ol.
What is the SMILES notation for 3,6-diamino-1,1,1-trifluorohexan-2-ol?
The canonical SMILES for 3,6-diamino-1,1,1-trifluorohexan-2-ol is NCCCC(N)C(O)C(F)(F)F.
What is the InChIKey of 3,6-diamino-1,1,1-trifluorohexan-2-ol?
The InChIKey is FEOKEYKSFQCILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2O/c7-6(8,9)5(12)4(11)2-1-3-10/h4-5,12H,1-3,10-11H2.
What are the key properties of 3,6-diamino-1,1,1-trifluorohexan-2-ol?
3,6-diamino-1,1,1-trifluorohexan-2-ol has a molecular weight of 186.18 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-1,1,1-trifluorohexan-2-ol is sourced from PubChem (CID 15344721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).