3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol

C13H24F3NO — CID 106143890

IUPAC3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
SMILESCC(C)(CCO)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-12(2,7-8-18)9-17-11-6-4-3-5-10(11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyOGPGIIKRDNIODR-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.11
Rot. Bonds5

About 3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol

3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol (PubChem CID 106143890) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
PubChem CID106143890
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol
SMILESCC(C)(CCO)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-12(2,7-8-18)9-17-11-6-4-3-5-10(11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyOGPGIIKRDNIODR-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol (CID 106143890) is 3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol is CC(C)(CCO)CNC1CCCCC1C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
The InChIKey is OGPGIIKRDNIODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-12(2,7-8-18)9-17-11-6-4-3-5-10(11)13(14,15)16/h10-11,17-18H,3-9H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol?
3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[[2-(trifluoromethyl)cyclohexyl]amino]butan-1-ol is sourced from PubChem (CID 106143890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).