ethyl N-(3-fluoroprop-2-enyl)carbamate

C6H10FNO2 — CID 173465161

IUPACethyl N-(3-fluoroprop-2-enyl)carbamate
SMILESCCOC(=O)NCC=CF
InChIInChI=1S/C6H10FNO2/c1-2-10-6(9)8-5-3-4-7/h3-4H,2,5H2,1H3,(H,8,9)
InChIKeyIKKCWGLNPKCGDG-UHFFFAOYSA-N
MW147.15 g/mol
LogP1.22
Rot. Bonds3

About ethyl N-(3-fluoroprop-2-enyl)carbamate

ethyl N-(3-fluoroprop-2-enyl)carbamate (PubChem CID 173465161) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is ethyl N-(3-fluoroprop-2-enyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-fluoroprop-2-enyl)carbamate
PubChem CID173465161
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Nameethyl N-(3-fluoroprop-2-enyl)carbamate
SMILESCCOC(=O)NCC=CF
InChIInChI=1S/C6H10FNO2/c1-2-10-6(9)8-5-3-4-7/h3-4H,2,5H2,1H3,(H,8,9)
InChIKeyIKKCWGLNPKCGDG-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl N-allylcarbamate
CID 138454
Carbamic acid, allyl-, methyl ester
CID 186042
Carbamic acid, (3-methyl-2-butenyl)-, ethyl ester
CID 13641453
prop-2-enyl N-(2-fluoroethyl)carbamate
CID 88603859
prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate
CID 88603887
[(Z)-3-fluoroprop-2-enyl] N-ethylcarbamate
CID 118982949
tert-butyl N-[(Z)-3-fluoroprop-2-enyl]carbamate
CID 141389812
ethyl N-(2-fluoroprop-2-enyl)carbamate
CID 155632162
tert-butyl N-(3-fluoroprop-2-enyl)carbamate
CID 175925790
propan-2-yl N-prop-2-enylcarbamate
CID 240399
Allyl-carbamic acid isobutyl ester
CID 637165
Carbonic acid, monoamide, N-allyl-, butyl ester
CID 10920769

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-fluoroprop-2-enyl)carbamate?
The IUPAC name of ethyl N-(3-fluoroprop-2-enyl)carbamate (CID 173465161) is ethyl N-(3-fluoroprop-2-enyl)carbamate.
What is the SMILES notation for ethyl N-(3-fluoroprop-2-enyl)carbamate?
The canonical SMILES for ethyl N-(3-fluoroprop-2-enyl)carbamate is CCOC(=O)NCC=CF.
What is the InChIKey of ethyl N-(3-fluoroprop-2-enyl)carbamate?
The InChIKey is IKKCWGLNPKCGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-2-10-6(9)8-5-3-4-7/h3-4H,2,5H2,1H3,(H,8,9).
What are the key properties of ethyl N-(3-fluoroprop-2-enyl)carbamate?
ethyl N-(3-fluoroprop-2-enyl)carbamate has a molecular weight of 147.15 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-fluoroprop-2-enyl)carbamate is sourced from PubChem (CID 173465161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).