1,1,1-trifluoro-6-(methylamino)hexan-2-ol

C7H14F3NO — CID 84732703

IUPAC1,1,1-trifluoro-6-(methylamino)hexan-2-ol
SMILESCNCCCCC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-11-5-3-2-4-6(12)7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyDQWRHMDSUDSORK-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.30
Rot. Bonds5

About 1,1,1-trifluoro-6-(methylamino)hexan-2-ol

1,1,1-trifluoro-6-(methylamino)hexan-2-ol (PubChem CID 84732703) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-(methylamino)hexan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-6-(methylamino)hexan-2-ol
PubChem CID84732703
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name1,1,1-trifluoro-6-(methylamino)hexan-2-ol
SMILESCNCCCCC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-11-5-3-2-4-6(12)7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyDQWRHMDSUDSORK-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.30
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

(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
10-(methylamino)decane-1,1-diol
CID 151651816
1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol
CID 123282561
1,6-bis(methylamino)hexan-1-ol
CID 154254069
(2S)-6-(methylamino)hexane-1,2-diol
CID 89283618
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
N,5-dimethylhexan-1-amine;ethane
CID 142540507
8-ethoxy-1,1,1-trifluorooctan-2-ol
CID 19365294
10-ethoxy-1,1,1-trifluorodecan-2-ol
CID 86189496
(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol
CID 10198260

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6-(methylamino)hexan-2-ol?
The IUPAC name of 1,1,1-trifluoro-6-(methylamino)hexan-2-ol (CID 84732703) is 1,1,1-trifluoro-6-(methylamino)hexan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-6-(methylamino)hexan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-6-(methylamino)hexan-2-ol is CNCCCCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6-(methylamino)hexan-2-ol?
The InChIKey is DQWRHMDSUDSORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-11-5-3-2-4-6(12)7(8,9)10/h6,11-12H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-6-(methylamino)hexan-2-ol?
1,1,1-trifluoro-6-(methylamino)hexan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6-(methylamino)hexan-2-ol is sourced from PubChem (CID 84732703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).