[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid

C7H10FNO3 — CID 174223727

IUPAC[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid
SMILESO=C(O)NC12COC(CF)(C1)C2
InChIInChI=1S/C7H10FNO3/c8-3-7-1-6(2-7,4-12-7)9-5(10)11/h9H,1-4H2,(H,10,11)
InChIKeyNXNNLLUCRMCHGA-UHFFFAOYSA-N
MW175.16 g/mol
LogP0.53
Rot. Bonds2

About [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid

[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid (PubChem CID 174223727) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid
PubChem CID174223727
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Name[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid
SMILESO=C(O)NC12COC(CF)(C1)C2
InChIInChI=1S/C7H10FNO3/c8-3-7-1-6(2-7,4-12-7)9-5(10)11/h9H,1-4H2,(H,10,11)
InChIKeyNXNNLLUCRMCHGA-UHFFFAOYSA-N
XLogP0.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid?
The IUPAC name of [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid (CID 174223727) is [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid.
What is the SMILES notation for [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid?
The canonical SMILES for [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid is O=C(O)NC12COC(CF)(C1)C2.
What is the InChIKey of [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid?
The InChIKey is NXNNLLUCRMCHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3/c8-3-7-1-6(2-7,4-12-7)9-5(10)11/h9H,1-4H2,(H,10,11).
What are the key properties of [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid?
[1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid has a molecular weight of 175.16 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]carbamic acid is sourced from PubChem (CID 174223727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).