[1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid

C7H11FN2O3 — CID 90218570

IUPAC[1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(C(=O)NCCF)CC1
InChIInChI=1S/C7H11FN2O3/c8-3-4-9-5(11)7(1-2-7)10-6(12)13/h10H,1-4H2,(H,9,11)(H,12,13)
InChIKeyGHWBRYUSMUYZEL-UHFFFAOYSA-N
MW190.17 g/mol
LogP-0.13
Rot. Bonds4

About [1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid

[1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid (PubChem CID 90218570) has the molecular formula C7H11FN2O3 and a molecular weight of 190.17 g/mol. Its IUPAC name is [1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid
PubChem CID90218570
Molecular FormulaC7H11FN2O3
Molecular Weight190.17 g/mol
Exact Mass190.08
IUPAC Name[1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(C(=O)NCCF)CC1
InChIInChI=1S/C7H11FN2O3/c8-3-4-9-5(11)7(1-2-7)10-6(12)13/h10H,1-4H2,(H,9,11)(H,12,13)
InChIKeyGHWBRYUSMUYZEL-UHFFFAOYSA-N
XLogP-0.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid?
The IUPAC name of [1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid (CID 90218570) is [1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid.
What is the SMILES notation for [1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid?
The canonical SMILES for [1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid is O=C(O)NC1(C(=O)NCCF)CC1.
What is the InChIKey of [1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid?
The InChIKey is GHWBRYUSMUYZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O3/c8-3-4-9-5(11)7(1-2-7)10-6(12)13/h10H,1-4H2,(H,9,11)(H,12,13).
What are the key properties of [1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid?
[1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid has a molecular weight of 190.17 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethylcarbamoyl)cyclopropyl]carbamic acid is sourced from PubChem (CID 90218570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).