2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol

C16H30F3NO — CID 63470757

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol
SMILESCCN(CC(F)(F)F)C1CCCCCCCCCCC1O
InChIInChI=1S/C16H30F3NO/c1-2-20(13-16(17,18)19)14-11-9-7-5-3-4-6-8-10-12-15(14)21/h14-15,21H,2-13H2,1H3
InChIKeyPWXSFGAIBXQGAS-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.51
Rot. Bonds3

About 2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol

2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol (PubChem CID 63470757) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol
PubChem CID63470757
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol
SMILESCCN(CC(F)(F)F)C1CCCCCCCCCCC1O
InChIInChI=1S/C16H30F3NO/c1-2-20(13-16(17,18)19)14-11-9-7-5-3-4-6-8-10-12-15(14)21/h14-15,21H,2-13H2,1H3
InChIKeyPWXSFGAIBXQGAS-UHFFFAOYSA-N
XLogP4.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol (CID 63470757) is 2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol is CCN(CC(F)(F)F)C1CCCCCCCCCCC1O.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol?
The InChIKey is PWXSFGAIBXQGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-2-20(13-16(17,18)19)14-11-9-7-5-3-4-6-8-10-12-15(14)21/h14-15,21H,2-13H2,1H3.
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol?
2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol has a molecular weight of 309.42 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]cyclododecan-1-ol is sourced from PubChem (CID 63470757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).