cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate

C11H8F2NO3- — CID 7100106

IUPACcis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESO=C([O-])[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/p-1/t6-,7+/m1/s1
InChIKeyQTWGHTBKFVANGX-RQJHMYQMSA-M
MW240.18 g/mol
LogP0.29
Rot. Bonds3

About cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate

cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate (PubChem CID 7100106) has the molecular formula C11H8F2NO3- and a molecular weight of 240.18 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate
PubChem CID7100106
Molecular FormulaC11H8F2NO3-
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Namecis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESO=C([O-])[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/p-1/t6-,7+/m1/s1
InChIKeyQTWGHTBKFVANGX-RQJHMYQMSA-M
XLogP0.29
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate (CID 7100106) is cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate is O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is QTWGHTBKFVANGX-RQJHMYQMSA-M. The full InChI is InChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/p-1/t6-,7+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate?
cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 240.18 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 7100106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).