cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

C11H15ClF3NO — CID 167569875

IUPACcis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESC/C(Cl)=C/[C@@H]1[C@@H](C(=O)NCC(F)(F)F)C1(C)C
InChIInChI=1S/C11H15ClF3NO/c1-6(12)4-7-8(10(7,2)3)9(17)16-5-11(13,14)15/h4,7-8H,5H2,1-3H3,(H,16,17)/b6-4-/t7-,8+/m1/s1
InChIKeyPXEONCSPAOIMAR-VMMSMWDISA-N
MW269.69 g/mol
LogP3.08
Rot. Bonds3

About cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide

cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (PubChem CID 167569875) has the molecular formula C11H15ClF3NO and a molecular weight of 269.69 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
PubChem CID167569875
Molecular FormulaC11H15ClF3NO
Molecular Weight269.69 g/mol
Exact Mass269.08
IUPAC Namecis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
SMILESC/C(Cl)=C/[C@@H]1[C@@H](C(=O)NCC(F)(F)F)C1(C)C
InChIInChI=1S/C11H15ClF3NO/c1-6(12)4-7-8(10(7,2)3)9(17)16-5-11(13,14)15/h4,7-8H,5H2,1-3H3,(H,16,17)/b6-4-/t7-,8+/m1/s1
InChIKeyPXEONCSPAOIMAR-VMMSMWDISA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide (CID 167569875) is cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is C/C(Cl)=C/[C@@H]1[C@@H](C(=O)NCC(F)(F)F)C1(C)C.
What is the InChIKey of cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
The InChIKey is PXEONCSPAOIMAR-VMMSMWDISA-N. The full InChI is InChI=1S/C11H15ClF3NO/c1-6(12)4-7-8(10(7,2)3)9(17)16-5-11(13,14)15/h4,7-8H,5H2,1-3H3,(H,16,17)/b6-4-/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide?
cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide has a molecular weight of 269.69 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167569875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).