fluoromethyl N-(1-hydroxyethyl)carbamate

C4H8FNO3 — CID 87746780

IUPACfluoromethyl N-(1-hydroxyethyl)carbamate
SMILESCC(O)NC(=O)OCF
InChIInChI=1S/C4H8FNO3/c1-3(7)6-4(8)9-2-5/h3,7H,2H2,1H3,(H,6,8)
InChIKeyNBVKVCCRZSLLIL-UHFFFAOYSA-N
MW137.11 g/mol
LogP-0.02
Rot. Bonds2

About fluoromethyl N-(1-hydroxyethyl)carbamate

fluoromethyl N-(1-hydroxyethyl)carbamate (PubChem CID 87746780) has the molecular formula C4H8FNO3 and a molecular weight of 137.11 g/mol. Its IUPAC name is fluoromethyl N-(1-hydroxyethyl)carbamate.

Molecular Properties

Compound Namefluoromethyl N-(1-hydroxyethyl)carbamate
PubChem CID87746780
Molecular FormulaC4H8FNO3
Molecular Weight137.11 g/mol
Exact Mass137.05
IUPAC Namefluoromethyl N-(1-hydroxyethyl)carbamate
SMILESCC(O)NC(=O)OCF
InChIInChI=1S/C4H8FNO3/c1-3(7)6-4(8)9-2-5/h3,7H,2H2,1H3,(H,6,8)
InChIKeyNBVKVCCRZSLLIL-UHFFFAOYSA-N
XLogP-0.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
iodomethyl N-propan-2-ylcarbamate
CID 86715162
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
ethyl N-(1-hydroxypropyl)carbamate
CID 87232302
propyl N-(dihydroxymethyl)carbamate
CID 174469306
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
[2-hydroxy-3-(propan-2-ylcarbamoyloxy)propyl] N-methylcarbamate
CID 88940708
1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate
CID 130266239
2-methylpropyl N-hydroxycarbamate
CID 22467

Frequently Asked Questions

What is the IUPAC name of fluoromethyl N-(1-hydroxyethyl)carbamate?
The IUPAC name of fluoromethyl N-(1-hydroxyethyl)carbamate (CID 87746780) is fluoromethyl N-(1-hydroxyethyl)carbamate.
What is the SMILES notation for fluoromethyl N-(1-hydroxyethyl)carbamate?
The canonical SMILES for fluoromethyl N-(1-hydroxyethyl)carbamate is CC(O)NC(=O)OCF.
What is the InChIKey of fluoromethyl N-(1-hydroxyethyl)carbamate?
The InChIKey is NBVKVCCRZSLLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO3/c1-3(7)6-4(8)9-2-5/h3,7H,2H2,1H3,(H,6,8).
What are the key properties of fluoromethyl N-(1-hydroxyethyl)carbamate?
fluoromethyl N-(1-hydroxyethyl)carbamate has a molecular weight of 137.11 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl N-(1-hydroxyethyl)carbamate is sourced from PubChem (CID 87746780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).