1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea

C8H15FN2O — CID 131207289

IUPAC1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea
SMILESCNC(=O)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C8H15FN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h6-7H,2-5H2,1H3,(H2,10,11,12)/t6-,7-/m1/s1
InChIKeyUUHFOFMKPXPRCZ-RNFRBKRXSA-N
MW174.22 g/mol
LogP1.20
Rot. Bonds1

About 1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea

1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea (PubChem CID 131207289) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea.

Molecular Properties

Compound Name1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea
PubChem CID131207289
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea
SMILESCNC(=O)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C8H15FN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h6-7H,2-5H2,1H3,(H2,10,11,12)/t6-,7-/m1/s1
InChIKeyUUHFOFMKPXPRCZ-RNFRBKRXSA-N
XLogP1.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea?
The IUPAC name of 1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea (CID 131207289) is 1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea.
What is the SMILES notation for 1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea?
The canonical SMILES for 1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea is CNC(=O)N[C@@H]1CCCC[C@H]1F.
What is the InChIKey of 1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea?
The InChIKey is UUHFOFMKPXPRCZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h6-7H,2-5H2,1H3,(H2,10,11,12)/t6-,7-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea?
1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea has a molecular weight of 174.22 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-fluorocyclohexyl]-3-methylurea is sourced from PubChem (CID 131207289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).