4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol

C9H16F3NO — CID 106133061

IUPAC4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-13-5-7-1-3-8(14)4-2-7/h7-8,13-14H,1-6H2
InChIKeyQRYSAZWHBMGMQH-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds3

About 4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol

4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol (PubChem CID 106133061) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol
PubChem CID106133061
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-13-5-7-1-3-8(14)4-2-7/h7-8,13-14H,1-6H2
InChIKeyQRYSAZWHBMGMQH-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol (CID 106133061) is 4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol is OC1CCC(CNCC(F)(F)F)CC1.
What is the InChIKey of 4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol?
The InChIKey is QRYSAZWHBMGMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)6-13-5-7-1-3-8(14)4-2-7/h7-8,13-14H,1-6H2.
What are the key properties of 4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol?
4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).