cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid

C15H23F2NO4 — CID 166275628

IUPACcis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)[C@]1(C(=O)NC2CCC(OC(F)F)CC2)C[C@H]1C(=O)O
InChIInChI=1S/C15H23F2NO4/c1-8(2)15(7-11(15)12(19)20)13(21)18-9-3-5-10(6-4-9)22-14(16)17/h8-11,14H,3-7H2,1-2H3,(H,18,21)(H,19,20)/t9?,10?,11-,15+/m0/s1
InChIKeyPZLBLXCJZGNETD-CFHRMEITSA-N
MW319.35 g/mol
LogP2.40
Rot. Bonds6

About cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid

cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 166275628) has the molecular formula C15H23F2NO4 and a molecular weight of 319.35 g/mol. Its IUPAC name is cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID166275628
Molecular FormulaC15H23F2NO4
Molecular Weight319.35 g/mol
Exact Mass319.16
IUPAC Namecis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)[C@]1(C(=O)NC2CCC(OC(F)F)CC2)C[C@H]1C(=O)O
InChIInChI=1S/C15H23F2NO4/c1-8(2)15(7-11(15)12(19)20)13(21)18-9-3-5-10(6-4-9)22-14(16)17/h8-11,14H,3-7H2,1-2H3,(H,18,21)(H,19,20)/t9?,10?,11-,15+/m0/s1
InChIKeyPZLBLXCJZGNETD-CFHRMEITSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid (CID 166275628) is cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid is CC(C)[C@]1(C(=O)NC2CCC(OC(F)F)CC2)C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is PZLBLXCJZGNETD-CFHRMEITSA-N. The full InChI is InChI=1S/C15H23F2NO4/c1-8(2)15(7-11(15)12(19)20)13(21)18-9-3-5-10(6-4-9)22-14(16)17/h8-11,14H,3-7H2,1-2H3,(H,18,21)(H,19,20)/t9?,10?,11-,15+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 319.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[[4-(difluoromethoxy)cyclohexyl]carbamoyl]-2-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 166275628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).