ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane

C10H24F3NO — CID 143016284

IUPACethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane
SMILESC.CC.CC(F)(F)F.OCC1CCNC1
InChIInChI=1S/C5H11NO.C2H3F3.C2H6.CH4/c7-4-5-1-2-6-3-5;1-2(3,4)5;1-2;/h5-7H,1-4H2;1H3;1-2H3;1H4
InChIKeyYMTNDSWUHFVPMU-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.82
Rot. Bonds1

About ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane

ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane (PubChem CID 143016284) has the molecular formula C10H24F3NO and a molecular weight of 231.30 g/mol. Its IUPAC name is ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane.

Molecular Properties

Compound Nameethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane
PubChem CID143016284
Molecular FormulaC10H24F3NO
Molecular Weight231.30 g/mol
Exact Mass231.18
IUPAC Nameethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane
SMILESC.CC.CC(F)(F)F.OCC1CCNC1
InChIInChI=1S/C5H11NO.C2H3F3.C2H6.CH4/c7-4-5-1-2-6-3-5;1-2(3,4)5;1-2;/h5-7H,1-4H2;1H3;1-2H3;1H4
InChIKeyYMTNDSWUHFVPMU-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane?
The IUPAC name of ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane (CID 143016284) is ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane.
What is the SMILES notation for ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane?
The canonical SMILES for ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane is C.CC.CC(F)(F)F.OCC1CCNC1.
What is the InChIKey of ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane?
The InChIKey is YMTNDSWUHFVPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2H3F3.C2H6.CH4/c7-4-5-1-2-6-3-5;1-2(3,4)5;1-2;/h5-7H,1-4H2;1H3;1-2H3;1H4.
What are the key properties of ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane?
ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane has a molecular weight of 231.30 g/mol, XLogP of 2.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;pyrrolidin-3-ylmethanol;1,1,1-trifluoroethane is sourced from PubChem (CID 143016284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).