[3-(2-fluorophenyl)cyclohexyl]carbamic acid

C13H16FNO2 — CID 139368725

IUPAC[3-(2-fluorophenyl)cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCCC(c2ccccc2F)C1
InChIInChI=1S/C13H16FNO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)15-13(16)17/h1-2,6-7,9-10,15H,3-5,8H2,(H,16,17)
InChIKeyDALVGHRIVQOAGO-UHFFFAOYSA-N
MW237.27 g/mol
LogP3.12
Rot. Bonds2

About [3-(2-fluorophenyl)cyclohexyl]carbamic acid

[3-(2-fluorophenyl)cyclohexyl]carbamic acid (PubChem CID 139368725) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is [3-(2-fluorophenyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[3-(2-fluorophenyl)cyclohexyl]carbamic acid
PubChem CID139368725
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name[3-(2-fluorophenyl)cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCCC(c2ccccc2F)C1
InChIInChI=1S/C13H16FNO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)15-13(16)17/h1-2,6-7,9-10,15H,3-5,8H2,(H,16,17)
InChIKeyDALVGHRIVQOAGO-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)cyclohexyl]carbamic acid?
The IUPAC name of [3-(2-fluorophenyl)cyclohexyl]carbamic acid (CID 139368725) is [3-(2-fluorophenyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [3-(2-fluorophenyl)cyclohexyl]carbamic acid?
The canonical SMILES for [3-(2-fluorophenyl)cyclohexyl]carbamic acid is O=C(O)NC1CCCC(c2ccccc2F)C1.
What is the InChIKey of [3-(2-fluorophenyl)cyclohexyl]carbamic acid?
The InChIKey is DALVGHRIVQOAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)15-13(16)17/h1-2,6-7,9-10,15H,3-5,8H2,(H,16,17).
What are the key properties of [3-(2-fluorophenyl)cyclohexyl]carbamic acid?
[3-(2-fluorophenyl)cyclohexyl]carbamic acid has a molecular weight of 237.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 139368725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).