4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine

C11H20F3NO — CID 172566523

IUPAC4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine
SMILESCC(C)(COC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-10(2,11(12,13)14)7-16-9-5-3-8(15)4-6-9/h8-9H,3-7,15H2,1-2H3
InChIKeyCQPRRKRJYHMRDP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds3

About 4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine

4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine (PubChem CID 172566523) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine
PubChem CID172566523
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine
SMILESCC(C)(COC1CCC(N)CC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-10(2,11(12,13)14)7-16-9-5-3-8(15)4-6-9/h8-9H,3-7,15H2,1-2H3
InChIKeyCQPRRKRJYHMRDP-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine?
The IUPAC name of 4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine (CID 172566523) is 4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine is CC(C)(COC1CCC(N)CC1)C(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine?
The InChIKey is CQPRRKRJYHMRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2,11(12,13)14)7-16-9-5-3-8(15)4-6-9/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine?
4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoro-2,2-dimethylpropoxy)cyclohexan-1-amine is sourced from PubChem (CID 172566523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).