6-amino-1,1,1-trifluorohexan-2-ol

C6H12F3NO — CID 84731899

IUPAC6-amino-1,1,1-trifluorohexan-2-ol
SMILESNCCCCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c7-6(8,9)5(11)3-1-2-4-10/h5,11H,1-4,10H2
InChIKeyPTLAGFBIAKZRMY-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.04
Rot. Bonds4

About 6-amino-1,1,1-trifluorohexan-2-ol

6-amino-1,1,1-trifluorohexan-2-ol (PubChem CID 84731899) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 6-amino-1,1,1-trifluorohexan-2-ol.

Molecular Properties

Compound Name6-amino-1,1,1-trifluorohexan-2-ol
PubChem CID84731899
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name6-amino-1,1,1-trifluorohexan-2-ol
SMILESNCCCCC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c7-6(8,9)5(11)3-1-2-4-10/h5,11H,1-4,10H2
InChIKeyPTLAGFBIAKZRMY-UHFFFAOYSA-N
XLogP1.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.04
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-Amino-3,3,4,4,5,5,5-heptafluoro-2-pentanol
CID 268358
1-Amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
CID 14914914
1-Amino-5,5,5-trifluoropentan-2-ol hydrochloride
CID 167715338
3,6-Diamino-1,1,1-trifluorohexan-2-ol
CID 15344721
4,7-Diamino-1,1,1,2,2-pentafluoroheptan-3-ol
CID 19419150
1-Amino-5,5,5-trifluoropentan-2-OL
CID 53415823
5-Amino-1,1,1-trifluoropentan-2-ol
CID 82415956
5-Amino-6,6,6-trifluorohexan-1-ol
CID 86706239
6-Amino-3,3,4,4-tetrafluorohexan-1-ol
CID 87063820
5-Amino-3,3-difluoropentan-1-ol
CID 117730738
1-Amino-5,5,5-trifluoropentan-1-ol;hydrochloride
CID 122604013
1-Amino-4,4-difluoropentan-2-ol
CID 137422003

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,1,1-trifluorohexan-2-ol?
The IUPAC name of 6-amino-1,1,1-trifluorohexan-2-ol (CID 84731899) is 6-amino-1,1,1-trifluorohexan-2-ol.
What is the SMILES notation for 6-amino-1,1,1-trifluorohexan-2-ol?
The canonical SMILES for 6-amino-1,1,1-trifluorohexan-2-ol is NCCCCC(O)C(F)(F)F.
What is the InChIKey of 6-amino-1,1,1-trifluorohexan-2-ol?
The InChIKey is PTLAGFBIAKZRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c7-6(8,9)5(11)3-1-2-4-10/h5,11H,1-4,10H2.
What are the key properties of 6-amino-1,1,1-trifluorohexan-2-ol?
6-amino-1,1,1-trifluorohexan-2-ol has a molecular weight of 171.16 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,1,1-trifluorohexan-2-ol is sourced from PubChem (CID 84731899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).