3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol

C10H18F3NO — CID 79643952

IUPAC3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol
SMILESCCCN(CC(F)(F)F)C1CCC(O)C1
InChIInChI=1S/C10H18F3NO/c1-2-5-14(7-10(11,12)13)8-3-4-9(15)6-8/h8-9,15H,2-7H2,1H3
InChIKeyLJRIRTYGZAGVFQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.17
Rot. Bonds4

About 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol

3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol (PubChem CID 79643952) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol
PubChem CID79643952
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol
SMILESCCCN(CC(F)(F)F)C1CCC(O)C1
InChIInChI=1S/C10H18F3NO/c1-2-5-14(7-10(11,12)13)8-3-4-9(15)6-8/h8-9,15H,2-7H2,1H3
InChIKeyLJRIRTYGZAGVFQ-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol?
The IUPAC name of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol (CID 79643952) is 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol.
What is the SMILES notation for 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol?
The canonical SMILES for 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol is CCCN(CC(F)(F)F)C1CCC(O)C1.
What is the InChIKey of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol?
The InChIKey is LJRIRTYGZAGVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-5-14(7-10(11,12)13)8-3-4-9(15)6-8/h8-9,15H,2-7H2,1H3.
What are the key properties of 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol?
3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 79643952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).