3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol

C13H24F3NO — CID 65107719

IUPAC3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-3-12(18,4-2)9-17-11-7-5-6-10(8-11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyUWTGPLSHYWEWIV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.25
Rot. Bonds5

About 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol

3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol (PubChem CID 65107719) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol
PubChem CID65107719
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-3-12(18,4-2)9-17-11-7-5-6-10(8-11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyUWTGPLSHYWEWIV-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol (CID 65107719) is 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol is CCC(O)(CC)CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol?
The InChIKey is UWTGPLSHYWEWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-12(18,4-2)9-17-11-7-5-6-10(8-11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3.
What are the key properties of 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol?
3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol has a molecular weight of 267.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pentan-3-ol is sourced from PubChem (CID 65107719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).