2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol

C13H24F3NO — CID 62609215

IUPAC2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
SMILESCC(C)N(CC1CCCCCC1O)CC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-10(2)17(9-13(14,15)16)8-11-6-4-3-5-7-12(11)18/h10-12,18H,3-9H2,1-2H3
InChIKeyNDCANNQADMRMFW-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds4

About 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol

2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol (PubChem CID 62609215) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
PubChem CID62609215
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol
SMILESCC(C)N(CC1CCCCCC1O)CC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-10(2)17(9-13(14,15)16)8-11-6-4-3-5-7-12(11)18/h10-12,18H,3-9H2,1-2H3
InChIKeyNDCANNQADMRMFW-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol (CID 62609215) is 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol is CC(C)N(CC1CCCCCC1O)CC(F)(F)F.
What is the InChIKey of 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is NDCANNQADMRMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(2)17(9-13(14,15)16)8-11-6-4-3-5-7-12(11)18/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol?
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 62609215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).