methyl N-(1-fluoroethyl)carbamate

C4H8FNO2 — CID 166647333

IUPACmethyl N-(1-fluoroethyl)carbamate
SMILESCOC(=O)NC(C)F
InChIInChI=1S/C4H8FNO2/c1-3(5)6-4(7)8-2/h3H,1-2H3,(H,6,7)
InChIKeyCVMKNTJTJXCVRZ-UHFFFAOYSA-N
MW121.11 g/mol
LogP0.66
Rot. Bonds1

About methyl N-(1-fluoroethyl)carbamate

methyl N-(1-fluoroethyl)carbamate (PubChem CID 166647333) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is methyl N-(1-fluoroethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-fluoroethyl)carbamate
PubChem CID166647333
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Namemethyl N-(1-fluoroethyl)carbamate
SMILESCOC(=O)NC(C)F
InChIInChI=1S/C4H8FNO2/c1-3(5)6-4(7)8-2/h3H,1-2H3,(H,6,7)
InChIKeyCVMKNTJTJXCVRZ-UHFFFAOYSA-N
XLogP0.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze methyl N-(1-fluoroethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(2R)-1,1-difluoropropan-2-yl]carbamate
CID 139305686
methyl N-[(1R)-1-phosphanylethyl]carbamate
CID 122592062
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
N-(1-fluoroethyl)acetamide
CID 123354067
methyl N-(3-hydroxybutan-2-yl)carbamate
CID 20667189
methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
CID 59264493
methyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 23234717
methyl N-(4-methyl-3-oxopentan-2-yl)carbamate
CID 59372534
(2S)-2-(methoxycarbonylamino)propanoic acid;sulfane
CID 159664208
methyl N-(4-methylpentan-2-yl)carbamate
CID 88914319
methyl N-[(1S)-1-cyanoethyl]carbamate
CID 130636664
methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 13269666

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-fluoroethyl)carbamate?
The IUPAC name of methyl N-(1-fluoroethyl)carbamate (CID 166647333) is methyl N-(1-fluoroethyl)carbamate.
What is the SMILES notation for methyl N-(1-fluoroethyl)carbamate?
The canonical SMILES for methyl N-(1-fluoroethyl)carbamate is COC(=O)NC(C)F.
What is the InChIKey of methyl N-(1-fluoroethyl)carbamate?
The InChIKey is CVMKNTJTJXCVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO2/c1-3(5)6-4(7)8-2/h3H,1-2H3,(H,6,7).
What are the key properties of methyl N-(1-fluoroethyl)carbamate?
methyl N-(1-fluoroethyl)carbamate has a molecular weight of 121.11 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-fluoroethyl)carbamate is sourced from PubChem (CID 166647333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).