3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride

C10H19ClF3NO2 — CID 129247859

IUPAC3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride
SMILESCC(O)(COC1CCC(N)CC1)C(F)(F)F.Cl
InChIInChI=1S/C10H18F3NO2.ClH/c1-9(15,10(11,12)13)6-16-8-4-2-7(14)3-5-8;/h7-8,15H,2-6,14H2,1H3;1H
InChIKeyBKCCTGYFYALVNQ-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.01
Rot. Bonds3

About 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride

3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride (PubChem CID 129247859) has the molecular formula C10H19ClF3NO2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride
PubChem CID129247859
Molecular FormulaC10H19ClF3NO2
Molecular Weight277.71 g/mol
Exact Mass277.11
IUPAC Name3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride
SMILESCC(O)(COC1CCC(N)CC1)C(F)(F)F.Cl
InChIInChI=1S/C10H18F3NO2.ClH/c1-9(15,10(11,12)13)6-16-8-4-2-7(14)3-5-8;/h7-8,15H,2-6,14H2,1H3;1H
InChIKeyBKCCTGYFYALVNQ-UHFFFAOYSA-N
XLogP2.01
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine
CID 172566523
1-(3-aminocyclobutyl)oxy-2-methylpropan-2-ol
CID 106940408
2-(4-aminocyclohexyl)oxyacetamide
CID 62806870
1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane
CID 21137277
3-amino-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride
CID 71757351
1-(4-aminocyclohexyl)oxy-3-methylbutan-2-ol
CID 121379144
1-(4-aminocyclohexyl)-2-methylpropan-2-ol
CID 83816306
4-(2-aminoethoxy)cyclohexan-1-amine
CID 64981454
2-methyl-1-(4-methylcyclohexyl)oxypropan-2-amine
CID 64747965
4-(3,3-difluoropropoxy)cyclohexan-1-amine
CID 172566327
(4-aminocyclohexyl) carbamate;hydrochloride
CID 174943880
4-(3-ethylsulfonylpropoxy)cyclohexan-1-amine
CID 65098075

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride (CID 129247859) is 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride.
What is the SMILES notation for 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride is CC(O)(COC1CCC(N)CC1)C(F)(F)F.Cl.
What is the InChIKey of 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride?
The InChIKey is BKCCTGYFYALVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2.ClH/c1-9(15,10(11,12)13)6-16-8-4-2-7(14)3-5-8;/h7-8,15H,2-6,14H2,1H3;1H.
What are the key properties of 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride?
3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride has a molecular weight of 277.71 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)oxy-1,1,1-trifluoro-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 129247859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).