2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol

C10H18F3NO — CID 64759717

IUPAC2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCC(CO)(NCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H18F3NO/c1-9(7-15,8-4-2-3-5-8)14-6-10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyQYEAVYXCNXWRFQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds4

About 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol

2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol (PubChem CID 64759717) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
PubChem CID64759717
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCC(CO)(NCC(F)(F)F)C1CCCC1
InChIInChI=1S/C10H18F3NO/c1-9(7-15,8-4-2-3-5-8)14-6-10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyQYEAVYXCNXWRFQ-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The IUPAC name of 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol (CID 64759717) is 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The canonical SMILES for 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol is CC(CO)(NCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
The InChIKey is QYEAVYXCNXWRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(7-15,8-4-2-3-5-8)14-6-10(11,12)13/h8,14-15H,2-7H2,1H3.
What are the key properties of 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol?
2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(2,2,2-trifluoroethylamino)propan-1-ol is sourced from PubChem (CID 64759717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).