(1-fluoro-1-pyridin-2-ylethyl) carbamate

C8H9FN2O2 — CID 66697846

IUPAC(1-fluoro-1-pyridin-2-ylethyl) carbamate
SMILESCC(F)(OC(N)=O)c1ccccn1
InChIInChI=1S/C8H9FN2O2/c1-8(9,13-7(10)12)6-4-2-3-5-11-6/h2-5H,1H3,(H2,10,12)
InChIKeyQEMXKCMYQPEVMT-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.32
Rot. Bonds2

About (1-fluoro-1-pyridin-2-ylethyl) carbamate

(1-fluoro-1-pyridin-2-ylethyl) carbamate (PubChem CID 66697846) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (1-fluoro-1-pyridin-2-ylethyl) carbamate.

Molecular Properties

Compound Name(1-fluoro-1-pyridin-2-ylethyl) carbamate
PubChem CID66697846
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(1-fluoro-1-pyridin-2-ylethyl) carbamate
SMILESCC(F)(OC(N)=O)c1ccccn1
InChIInChI=1S/C8H9FN2O2/c1-8(9,13-7(10)12)6-4-2-3-5-11-6/h2-5H,1H3,(H2,10,12)
InChIKeyQEMXKCMYQPEVMT-UHFFFAOYSA-N
XLogP1.32
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67418657
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tert-butyl carbamate;pyridine-2-carboxamide
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3-methyl-3-pyridin-2-ylbutanamide
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benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine
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CID 158875352
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
2-(2,2-dimethylpropyl)-4,4-dimethyl-2-pyridin-2-ylpentanamide
CID 3054960
fluoro(pyridin-2-yl)methanediamine
CID 67406744
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167
ethyl 3,3-difluoro-3-pyridin-2-ylpropanoate
CID 83853858

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-1-pyridin-2-ylethyl) carbamate?
The IUPAC name of (1-fluoro-1-pyridin-2-ylethyl) carbamate (CID 66697846) is (1-fluoro-1-pyridin-2-ylethyl) carbamate.
What is the SMILES notation for (1-fluoro-1-pyridin-2-ylethyl) carbamate?
The canonical SMILES for (1-fluoro-1-pyridin-2-ylethyl) carbamate is CC(F)(OC(N)=O)c1ccccn1.
What is the InChIKey of (1-fluoro-1-pyridin-2-ylethyl) carbamate?
The InChIKey is QEMXKCMYQPEVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-8(9,13-7(10)12)6-4-2-3-5-11-6/h2-5H,1H3,(H2,10,12).
What are the key properties of (1-fluoro-1-pyridin-2-ylethyl) carbamate?
(1-fluoro-1-pyridin-2-ylethyl) carbamate has a molecular weight of 184.17 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-1-pyridin-2-ylethyl) carbamate is sourced from PubChem (CID 66697846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).