2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol

C12H22F3NO — CID 79564543

IUPAC2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol
SMILESCC(C)N(CCC1CCCC1O)CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-9(2)16(8-12(13,14)15)7-6-10-4-3-5-11(10)17/h9-11,17H,3-8H2,1-2H3
InChIKeyRLTVYYATKVSCSF-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.81
Rot. Bonds5

About 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol

2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol (PubChem CID 79564543) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol
PubChem CID79564543
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol
SMILESCC(C)N(CCC1CCCC1O)CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-9(2)16(8-12(13,14)15)7-6-10-4-3-5-11(10)17/h9-11,17H,3-8H2,1-2H3
InChIKeyRLTVYYATKVSCSF-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
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-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol (CID 79564543) is 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol is CC(C)N(CCC1CCCC1O)CC(F)(F)F.
What is the InChIKey of 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol?
The InChIKey is RLTVYYATKVSCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(2)16(8-12(13,14)15)7-6-10-4-3-5-11(10)17/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol?
2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79564543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).