2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol

C13H22F3NO — CID 114272077

IUPAC2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol
SMILESOC1CCCCCC1CN1CCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-6-7-17(9-11)8-10-4-2-1-3-5-12(10)18/h10-12,18H,1-9H2
InChIKeyNJGVKBOHHHXOSK-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.81
Rot. Bonds2

About 2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol

2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol (PubChem CID 114272077) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol
PubChem CID114272077
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol
SMILESOC1CCCCCC1CN1CCC(C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)11-6-7-17(9-11)8-10-4-2-1-3-5-12(10)18/h10-12,18H,1-9H2
InChIKeyNJGVKBOHHHXOSK-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol?
The IUPAC name of 2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol (CID 114272077) is 2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol is OC1CCCCCC1CN1CCC(C(F)(F)F)C1.
What is the InChIKey of 2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol?
The InChIKey is NJGVKBOHHHXOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)11-6-7-17(9-11)8-10-4-2-1-3-5-12(10)18/h10-12,18H,1-9H2.
What are the key properties of 2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol?
2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cycloheptan-1-ol is sourced from PubChem (CID 114272077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).