2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol

C13H22F3NO — CID 65833757

IUPAC2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol
SMILESC1CCC(C(C1)C(F)(F)F)NCC2CCCC2O
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-5-1-2-6-11(10)17-8-9-4-3-7-12(9)18/h9-12,17-18H,1-8H2
InChIKeyMCMNFXMUBRCJHM-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.10
Rot. Bonds3

About 2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol

2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol (PubChem CID 65833757) has the molecular formula C13H22F3NO and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol
PubChem CID65833757
Molecular FormulaC13H22F3NO
Molecular Weight265.31 g/mol
Exact Mass265.17
IUPAC Name2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol
SMILESC1CCC(C(C1)C(F)(F)F)NCC2CCCC2O
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-5-1-2-6-11(10)17-8-9-4-3-7-12(9)18/h9-12,17-18H,1-8H2
InChIKeyMCMNFXMUBRCJHM-UHFFFAOYSA-N
XLogP3.10
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity269

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol (CID 65833757) is 2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol is C1CCC(C(C1)C(F)(F)F)NCC2CCCC2O.
What is the InChIKey of 2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is MCMNFXMUBRCJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)10-5-1-2-6-11(10)17-8-9-4-3-7-12(9)18/h9-12,17-18H,1-8H2.
What are the key properties of 2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol?
2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 265.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(Trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65833757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).