1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol

C13H22F3NO — CID 65105892

IUPAC1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCC(C(F)(F)F)CC2)CCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-3-5-11(6-4-10)17-9-12(18)7-1-2-8-12/h10-11,17-18H,1-9H2
InChIKeyYXCNKENTXKGDDR-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.00
Rot. Bonds3

About 1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol

1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol (PubChem CID 65105892) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol
PubChem CID65105892
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCC(C(F)(F)F)CC2)CCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-3-5-11(6-4-10)17-9-12(18)7-1-2-8-12/h10-11,17-18H,1-9H2
InChIKeyYXCNKENTXKGDDR-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol (CID 65105892) is 1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol is OC1(CNC2CCC(C(F)(F)F)CC2)CCCC1.
What is the InChIKey of 1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is YXCNKENTXKGDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)10-3-5-11(6-4-10)17-9-12(18)7-1-2-8-12/h10-11,17-18H,1-9H2.
What are the key properties of 1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol?
1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).