1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol

C9H16F3NO2 — CID 65111126

IUPAC1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol
SMILESOC(CNCC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7(14)5-13-6-8(15)3-1-2-4-8/h7,13-15H,1-6H2
InChIKeyCFPIZINJOQMHAV-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.80
Rot. Bonds4

About 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol

1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol (PubChem CID 65111126) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol
PubChem CID65111126
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol
SMILESOC(CNCC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7(14)5-13-6-8(15)3-1-2-4-8/h7,13-15H,1-6H2
InChIKeyCFPIZINJOQMHAV-UHFFFAOYSA-N
XLogP0.80
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol (CID 65111126) is 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol is OC(CNCC1(O)CCCC1)C(F)(F)F.
What is the InChIKey of 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is CFPIZINJOQMHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)7(14)5-13-6-8(15)3-1-2-4-8/h7,13-15H,1-6H2.
What are the key properties of 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol?
1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 227.23 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65111126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).