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

C10H19FN2O2 — CID 126793964

IUPAC3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C10H19FN2O2/c1-13(6-7-14)10(15)12-9-5-3-2-4-8(9)11/h8-9,14H,2-7H2,1H3,(H,12,15)/t8-,9-/m1/s1
InChIKeyGTWMEVUIDGDABN-RKDXNWHRSA-N
MW218.27 g/mol
LogP0.90
Rot. Bonds3

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

3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea (PubChem CID 126793964) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea
PubChem CID126793964
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea
SMILESCN(CCO)C(=O)N[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C10H19FN2O2/c1-13(6-7-14)10(15)12-9-5-3-2-4-8(9)11/h8-9,14H,2-7H2,1H3,(H,12,15)/t8-,9-/m1/s1
InChIKeyGTWMEVUIDGDABN-RKDXNWHRSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea?
The IUPAC name of 3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea (CID 126793964) is 3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea.
What is the SMILES notation for 3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea?
The canonical SMILES for 3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea is CN(CCO)C(=O)N[C@@H]1CCCC[C@H]1F.
What is the InChIKey of 3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea?
The InChIKey is GTWMEVUIDGDABN-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-13(6-7-14)10(15)12-9-5-3-2-4-8(9)11/h8-9,14H,2-7H2,1H3,(H,12,15)/t8-,9-/m1/s1.
What are the key properties of 3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea?
3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea has a molecular weight of 218.27 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-fluorocyclohexyl]-1-(2-hydroxyethyl)-1-methylurea is sourced from PubChem (CID 126793964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).