[1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid

C8H13F3N2O3 — CID 71015416

IUPAC[1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(C(O)F)C(F)F)C1
InChIInChI=1S/C8H13F3N2O3/c9-6(10)5(7(11)14)13-2-1-4(3-13)12-8(15)16/h4-7,12,14H,1-3H2,(H,15,16)
InChIKeyVMGMXPRSJNDJSN-UHFFFAOYSA-N
MW242.20 g/mol
LogP0.25
Rot. Bonds4

About [1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid

[1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid (PubChem CID 71015416) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is [1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid
PubChem CID71015416
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name[1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CCN(C(C(O)F)C(F)F)C1
InChIInChI=1S/C8H13F3N2O3/c9-6(10)5(7(11)14)13-2-1-4(3-13)12-8(15)16/h4-7,12,14H,1-3H2,(H,15,16)
InChIKeyVMGMXPRSJNDJSN-UHFFFAOYSA-N
XLogP0.25
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid (CID 71015416) is [1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid is O=C(O)NC1CCN(C(C(O)F)C(F)F)C1.
What is the InChIKey of [1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is VMGMXPRSJNDJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c9-6(10)5(7(11)14)13-2-1-4(3-13)12-8(15)16/h4-7,12,14H,1-3H2,(H,15,16).
What are the key properties of [1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid?
[1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 242.20 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1,3-trifluoro-3-hydroxypropan-2-yl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 71015416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).