1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol

C12H20F3NO — CID 79125231

IUPAC1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESNCC1(C2(O)CCC(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-2-6-11(17,7-3-9)10(8-16)4-1-5-10/h9,17H,1-8,16H2
InChIKeyQARXXPPKJNBXAP-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.60
Rot. Bonds2

About 1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol

1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79125231) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79125231
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESNCC1(C2(O)CCC(C(F)(F)F)CC2)CCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)9-2-6-11(17,7-3-9)10(8-16)4-1-5-10/h9,17H,1-8,16H2
InChIKeyQARXXPPKJNBXAP-UHFFFAOYSA-N
XLogP2.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 79125231) is 1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol is NCC1(C2(O)CCC(C(F)(F)F)CC2)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is QARXXPPKJNBXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)9-2-6-11(17,7-3-9)10(8-16)4-1-5-10/h9,17H,1-8,16H2.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 251.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79125231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).