ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane

C12H22FNO2 — CID 169143693

IUPACethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane
SMILESCCOC(=O)NC1(C)CC1.FC1CCCC1
InChIInChI=1S/C7H13NO2.C5H9F/c1-3-10-6(9)8-7(2)4-5-7;6-5-3-1-2-4-5/h3-5H2,1-2H3,(H,8,9);5H,1-4H2
InChIKeyPYSJTSLYEGYETN-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.18
Rot. Bonds2

About ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane

ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane (PubChem CID 169143693) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane.

Molecular Properties

Compound Nameethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane
PubChem CID169143693
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Nameethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane
SMILESCCOC(=O)NC1(C)CC1.FC1CCCC1
InChIInChI=1S/C7H13NO2.C5H9F/c1-3-10-6(9)8-7(2)4-5-7;6-5-3-1-2-4-5/h3-5H2,1-2H3,(H,8,9);5H,1-4H2
InChIKeyPYSJTSLYEGYETN-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane?
The IUPAC name of ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane (CID 169143693) is ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane.
What is the SMILES notation for ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane?
The canonical SMILES for ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane is CCOC(=O)NC1(C)CC1.FC1CCCC1.
What is the InChIKey of ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane?
The InChIKey is PYSJTSLYEGYETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C5H9F/c1-3-10-6(9)8-7(2)4-5-7;6-5-3-1-2-4-5/h3-5H2,1-2H3,(H,8,9);5H,1-4H2.
What are the key properties of ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane?
ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane has a molecular weight of 231.31 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-methylcyclopropyl)carbamate;fluorocyclopentane is sourced from PubChem (CID 169143693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).