cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide

C15H15ClF3NO — CID 170315355

IUPACcis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide
SMILESC/C(Cl)=C/[C@@H]1[C@@H](C(=O)Nc2cc(F)c(F)c(F)c2)C1(C)C
InChIInChI=1S/C15H15ClF3NO/c1-7(16)4-9-12(15(9,2)3)14(21)20-8-5-10(17)13(19)11(18)6-8/h4-6,9,12H,1-3H3,(H,20,21)/b7-4-/t9-,12+/m1/s1
InChIKeyYULVONRJZWZIEJ-HTEWFQQSSA-N
MW317.74 g/mol
LogP4.46
Rot. Bonds3

About cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide

cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide (PubChem CID 170315355) has the molecular formula C15H15ClF3NO and a molecular weight of 317.74 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide
PubChem CID170315355
Molecular FormulaC15H15ClF3NO
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Namecis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide
SMILESC/C(Cl)=C/[C@@H]1[C@@H](C(=O)Nc2cc(F)c(F)c(F)c2)C1(C)C
InChIInChI=1S/C15H15ClF3NO/c1-7(16)4-9-12(15(9,2)3)14(21)20-8-5-10(17)13(19)11(18)6-8/h4-6,9,12H,1-3H3,(H,20,21)/b7-4-/t9-,12+/m1/s1
InChIKeyYULVONRJZWZIEJ-HTEWFQQSSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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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-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide (CID 170315355) is cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide is C/C(Cl)=C/[C@@H]1[C@@H](C(=O)Nc2cc(F)c(F)c(F)c2)C1(C)C.
What is the InChIKey of cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is YULVONRJZWZIEJ-HTEWFQQSSA-N. The full InChI is InChI=1S/C15H15ClF3NO/c1-7(16)4-9-12(15(9,2)3)14(21)20-8-5-10(17)13(19)11(18)6-8/h4-6,9,12H,1-3H3,(H,20,21)/b7-4-/t9-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide?
cis-(1R,3S)-3-[(Z)-2-chloroprop-1-enyl]-2,2-dimethyl-N-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 317.74 g/mol, XLogP of 4.46, 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-(3,4,5-trifluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 170315355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).