azane;3-(trifluoromethyl)pyrrolidin-3-ol

C5H11F3N2O — CID 121304840

IUPACazane;3-(trifluoromethyl)pyrrolidin-3-ol
SMILESN.OC1(C(F)(F)F)CCNC1
InChIInChI=1S/C5H8F3NO.H3N/c6-5(7,8)4(10)1-2-9-3-4;/h9-10H,1-3H2;1H3
InChIKeyJNJLRKHIASCBGP-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.44
Rot. Bonds

About azane;3-(trifluoromethyl)pyrrolidin-3-ol

azane;3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 121304840) has the molecular formula C5H11F3N2O and a molecular weight of 172.15 g/mol. Its IUPAC name is azane;3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Nameazane;3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID121304840
Molecular FormulaC5H11F3N2O
Molecular Weight172.15 g/mol
Exact Mass172.08
IUPAC Nameazane;3-(trifluoromethyl)pyrrolidin-3-ol
SMILESN.OC1(C(F)(F)F)CCNC1
InChIInChI=1S/C5H8F3NO.H3N/c6-5(7,8)4(10)1-2-9-3-4;/h9-10H,1-3H2;1H3
InChIKeyJNJLRKHIASCBGP-UHFFFAOYSA-N
XLogP0.44
TPSA67.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of azane;3-(trifluoromethyl)pyrrolidin-3-ol (CID 121304840) is azane;3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for azane;3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for azane;3-(trifluoromethyl)pyrrolidin-3-ol is N.OC1(C(F)(F)F)CCNC1.
What is the InChIKey of azane;3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is JNJLRKHIASCBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.H3N/c6-5(7,8)4(10)1-2-9-3-4;/h9-10H,1-3H2;1H3.
What are the key properties of azane;3-(trifluoromethyl)pyrrolidin-3-ol?
azane;3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 172.15 g/mol, XLogP of 0.44, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 121304840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).