1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol

C16H22F3NO — CID 14739946

IUPAC1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol
SMILESCN(C)CC(c1ccc(C(F)(F)F)cc1)C1(O)CCCC1
InChIInChI=1S/C16H22F3NO/c1-20(2)11-14(15(21)9-3-4-10-15)12-5-7-13(8-6-12)16(17,18)19/h5-8,14,21H,3-4,9-11H2,1-2H3
InChIKeyFTIPYTODMKUPGF-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.66
Rot. Bonds4

About 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol

1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol (PubChem CID 14739946) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol
PubChem CID14739946
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol
SMILESCN(C)CC(c1ccc(C(F)(F)F)cc1)C1(O)CCCC1
InChIInChI=1S/C16H22F3NO/c1-20(2)11-14(15(21)9-3-4-10-15)12-5-7-13(8-6-12)16(17,18)19/h5-8,14,21H,3-4,9-11H2,1-2H3
InChIKeyFTIPYTODMKUPGF-UHFFFAOYSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol (CID 14739946) is 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol is CN(C)CC(c1ccc(C(F)(F)F)cc1)C1(O)CCCC1.
What is the InChIKey of 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol?
The InChIKey is FTIPYTODMKUPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-20(2)11-14(15(21)9-3-4-10-15)12-5-7-13(8-6-12)16(17,18)19/h5-8,14,21H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol?
1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol has a molecular weight of 301.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 14739946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).