4-amino-3-(trifluoromethyl)hexan-1-ol

C7H14F3NO — CID 66092414

IUPAC4-amino-3-(trifluoromethyl)hexan-1-ol
SMILESCCC(N)C(CCO)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-6(11)5(3-4-12)7(8,9)10/h5-6,12H,2-4,11H2,1H3
InChIKeyAPIYIRITNOUAAG-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.28
Rot. Bonds4

About 4-amino-3-(trifluoromethyl)hexan-1-ol

4-amino-3-(trifluoromethyl)hexan-1-ol (PubChem CID 66092414) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 4-amino-3-(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound Name4-amino-3-(trifluoromethyl)hexan-1-ol
PubChem CID66092414
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name4-amino-3-(trifluoromethyl)hexan-1-ol
SMILESCCC(N)C(CCO)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-6(11)5(3-4-12)7(8,9)10/h5-6,12H,2-4,11H2,1H3
InChIKeyAPIYIRITNOUAAG-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(trifluoromethyl)hexan-1-ol?
The IUPAC name of 4-amino-3-(trifluoromethyl)hexan-1-ol (CID 66092414) is 4-amino-3-(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for 4-amino-3-(trifluoromethyl)hexan-1-ol?
The canonical SMILES for 4-amino-3-(trifluoromethyl)hexan-1-ol is CCC(N)C(CCO)C(F)(F)F.
What is the InChIKey of 4-amino-3-(trifluoromethyl)hexan-1-ol?
The InChIKey is APIYIRITNOUAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-2-6(11)5(3-4-12)7(8,9)10/h5-6,12H,2-4,11H2,1H3.
What are the key properties of 4-amino-3-(trifluoromethyl)hexan-1-ol?
4-amino-3-(trifluoromethyl)hexan-1-ol has a molecular weight of 185.19 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 66092414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).