[1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid

C8H11F3N2O3 — CID 90218286

IUPAC[1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)3-4-12-5(14)7(1-2-7)13-6(15)16/h13H,1-4H2,(H,12,14)(H,15,16)
InChIKeyUUCNJXCJNLYEJN-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.86
Rot. Bonds4

About [1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid

[1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid (PubChem CID 90218286) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid
PubChem CID90218286
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name[1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(C(=O)NCCC(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)3-4-12-5(14)7(1-2-7)13-6(15)16/h13H,1-4H2,(H,12,14)(H,15,16)
InChIKeyUUCNJXCJNLYEJN-UHFFFAOYSA-N
XLogP0.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid?
The IUPAC name of [1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid (CID 90218286) is [1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid.
What is the SMILES notation for [1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid?
The canonical SMILES for [1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid is O=C(O)NC1(C(=O)NCCC(F)(F)F)CC1.
What is the InChIKey of [1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid?
The InChIKey is UUCNJXCJNLYEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)3-4-12-5(14)7(1-2-7)13-6(15)16/h13H,1-4H2,(H,12,14)(H,15,16).
What are the key properties of [1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid?
[1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid has a molecular weight of 240.18 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,3-trifluoropropylcarbamoyl)cyclopropyl]carbamic acid is sourced from PubChem (CID 90218286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).