(2S)-N-(2-fluoroethyl)oxolane-2-carboxamide

C7H12FNO2 — CID 130715022

IUPAC(2S)-N-(2-fluoroethyl)oxolane-2-carboxamide
SMILESO=C(NCCF)[C@@H]1CCCO1
InChIInChI=1S/C7H12FNO2/c8-3-4-9-7(10)6-2-1-5-11-6/h6H,1-5H2,(H,9,10)/t6-/m0/s1
InChIKeyLAJZWNPWAFCOGV-LURJTMIESA-N
MW161.18 g/mol
LogP0.25
Rot. Bonds3

About (2S)-N-(2-fluoroethyl)oxolane-2-carboxamide

(2S)-N-(2-fluoroethyl)oxolane-2-carboxamide (PubChem CID 130715022) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is (2S)-N-(2-fluoroethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-fluoroethyl)oxolane-2-carboxamide
PubChem CID130715022
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name(2S)-N-(2-fluoroethyl)oxolane-2-carboxamide
SMILESO=C(NCCF)[C@@H]1CCCO1
InChIInChI=1S/C7H12FNO2/c8-3-4-9-7(10)6-2-1-5-11-6/h6H,1-5H2,(H,9,10)/t6-/m0/s1
InChIKeyLAJZWNPWAFCOGV-LURJTMIESA-N
XLogP0.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluoroethyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2-fluoroethyl)oxolane-2-carboxamide (CID 130715022) is (2S)-N-(2-fluoroethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-fluoroethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-fluoroethyl)oxolane-2-carboxamide is O=C(NCCF)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(2-fluoroethyl)oxolane-2-carboxamide?
The InChIKey is LAJZWNPWAFCOGV-LURJTMIESA-N. The full InChI is InChI=1S/C7H12FNO2/c8-3-4-9-7(10)6-2-1-5-11-6/h6H,1-5H2,(H,9,10)/t6-/m0/s1.
What are the key properties of (2S)-N-(2-fluoroethyl)oxolane-2-carboxamide?
(2S)-N-(2-fluoroethyl)oxolane-2-carboxamide has a molecular weight of 161.18 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluoroethyl)oxolane-2-carboxamide is sourced from PubChem (CID 130715022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).