ethene;2-fluoroethyl carbamate;methane;3-methylbutanal

C11H24FNO3 — CID 144904465

IUPACethene;2-fluoroethyl carbamate;methane;3-methylbutanal
SMILESC.C=C.CC(C)CC=O.NC(=O)OCCF
InChIInChI=1S/C5H10O.C3H6FNO2.C2H4.CH4/c1-5(2)3-4-6;4-1-2-7-3(5)6;1-2;/h4-5H,3H2,1-2H3;1-2H2,(H2,5,6);1-2H2;1H4
InChIKeyCFCNXRASMLVDSH-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.72
Rot. Bonds4

About ethene;2-fluoroethyl carbamate;methane;3-methylbutanal

ethene;2-fluoroethyl carbamate;methane;3-methylbutanal (PubChem CID 144904465) has the molecular formula C11H24FNO3 and a molecular weight of 237.31 g/mol. Its IUPAC name is ethene;2-fluoroethyl carbamate;methane;3-methylbutanal.

Molecular Properties

Compound Nameethene;2-fluoroethyl carbamate;methane;3-methylbutanal
PubChem CID144904465
Molecular FormulaC11H24FNO3
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Nameethene;2-fluoroethyl carbamate;methane;3-methylbutanal
SMILESC.C=C.CC(C)CC=O.NC(=O)OCCF
InChIInChI=1S/C5H10O.C3H6FNO2.C2H4.CH4/c1-5(2)3-4-6;4-1-2-7-3(5)6;1-2;/h4-5H,3H2,1-2H3;1-2H2,(H2,5,6);1-2H2;1H4
InChIKeyCFCNXRASMLVDSH-UHFFFAOYSA-N
XLogP2.72
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;2-fluoroethyl carbamate;methane;3-methylbutanal?
The IUPAC name of ethene;2-fluoroethyl carbamate;methane;3-methylbutanal (CID 144904465) is ethene;2-fluoroethyl carbamate;methane;3-methylbutanal.
What is the SMILES notation for ethene;2-fluoroethyl carbamate;methane;3-methylbutanal?
The canonical SMILES for ethene;2-fluoroethyl carbamate;methane;3-methylbutanal is C.C=C.CC(C)CC=O.NC(=O)OCCF.
What is the InChIKey of ethene;2-fluoroethyl carbamate;methane;3-methylbutanal?
The InChIKey is CFCNXRASMLVDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C3H6FNO2.C2H4.CH4/c1-5(2)3-4-6;4-1-2-7-3(5)6;1-2;/h4-5H,3H2,1-2H3;1-2H2,(H2,5,6);1-2H2;1H4.
What are the key properties of ethene;2-fluoroethyl carbamate;methane;3-methylbutanal?
ethene;2-fluoroethyl carbamate;methane;3-methylbutanal has a molecular weight of 237.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-fluoroethyl carbamate;methane;3-methylbutanal is sourced from PubChem (CID 144904465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).