3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol

C11H18F3NO — CID 79619095

IUPAC3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
SMILESOC1CCCC(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)7-15(8-4-5-8)9-2-1-3-10(16)6-9/h8-10,16H,1-7H2
InChIKeyTXZOSHQUNZNWJM-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.32
Rot. Bonds3

About 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol (PubChem CID 79619095) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
PubChem CID79619095
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
SMILESOC1CCCC(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)7-15(8-4-5-8)9-2-1-3-10(16)6-9/h8-10,16H,1-7H2
InChIKeyTXZOSHQUNZNWJM-UHFFFAOYSA-N
XLogP2.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol (CID 79619095) is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol is OC1CCCC(N(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
The InChIKey is TXZOSHQUNZNWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)7-15(8-4-5-8)9-2-1-3-10(16)6-9/h8-10,16H,1-7H2.
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol?
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol has a molecular weight of 237.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79619095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).