3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid

C9H13F6NO3 — CID 90020523

IUPAC3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid
SMILESNC1CCCC(O)(C(F)(F)F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO.C2HF3O2/c8-7(9,10)6(12)3-1-2-5(11)4-6;3-2(4,5)1(6)7/h5,12H,1-4,11H2;(H,6,7)
InChIKeyUDYYAUYEIQREIJ-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.81
Rot. Bonds

About 3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid

3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid (PubChem CID 90020523) has the molecular formula C9H13F6NO3 and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid
PubChem CID90020523
Molecular FormulaC9H13F6NO3
Molecular Weight297.20 g/mol
Exact Mass297.08
IUPAC Name3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid
SMILESNC1CCCC(O)(C(F)(F)F)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO.C2HF3O2/c8-7(9,10)6(12)3-1-2-5(11)4-6;3-2(4,5)1(6)7/h5,12H,1-4,11H2;(H,6,7)
InChIKeyUDYYAUYEIQREIJ-UHFFFAOYSA-N
XLogP1.81
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid (CID 90020523) is 3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid is NC1CCCC(O)(C(F)(F)F)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid?
The InChIKey is UDYYAUYEIQREIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.C2HF3O2/c8-7(9,10)6(12)3-1-2-5(11)4-6;3-2(4,5)1(6)7/h5,12H,1-4,11H2;(H,6,7).
What are the key properties of 3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid?
3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid has a molecular weight of 297.20 g/mol, XLogP of 1.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90020523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).