1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone

C11H14ClF3O2 — CID 101253634

IUPAC1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone
SMILESCOCC(=O)[C@H]1[C@@H](/C=C(\Cl)C(F)(F)F)C1(C)C
InChIInChI=1S/C11H14ClF3O2/c1-10(2)6(4-8(12)11(13,14)15)9(10)7(16)5-17-3/h4,6,9H,5H2,1-3H3/b8-4-/t6-,9-/m1/s1
InChIKeyWYIRCAYXFXPLFB-SLQKLLSFSA-N
MW270.68 g/mol
LogP3.16
Rot. Bonds4

About 1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone

1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone (PubChem CID 101253634) has the molecular formula C11H14ClF3O2 and a molecular weight of 270.68 g/mol. Its IUPAC name is 1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone
PubChem CID101253634
Molecular FormulaC11H14ClF3O2
Molecular Weight270.68 g/mol
Exact Mass270.06
IUPAC Name1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone
SMILESCOCC(=O)[C@H]1[C@@H](/C=C(\Cl)C(F)(F)F)C1(C)C
InChIInChI=1S/C11H14ClF3O2/c1-10(2)6(4-8(12)11(13,14)15)9(10)7(16)5-17-3/h4,6,9H,5H2,1-3H3/b8-4-/t6-,9-/m1/s1
InChIKeyWYIRCAYXFXPLFB-SLQKLLSFSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 11983901
cis-(1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
CID 86736786
trans-(1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 154317838
cis-(1R,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 154081541
3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carbonyl isothiocyanate
CID 153200125
trans-methyl (1S,3S)-3-[2-chloro-4-fluoro-3,3-bis(fluoromethyl)but-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 86739276
(2,4,6-trifluorophenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 88617634
cis-(1S,3R)-3-(2,3-dichloro-3,3-difluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 86737384
1-[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]propan-1-one
CID 175320381
trans-(3,5-difluoro-2,6-dimethylphenyl)methyl (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 151885557
trans-(2,6-dibromo-3,5-difluorophenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 151362290
(Z)-2-[(1S,3S)-3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-hydroxyethenediazonium
CID 11230920

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone?
The IUPAC name of 1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone (CID 101253634) is 1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone.
What is the SMILES notation for 1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone?
The canonical SMILES for 1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone is COCC(=O)[C@H]1[C@@H](/C=C(\Cl)C(F)(F)F)C1(C)C.
What is the InChIKey of 1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone?
The InChIKey is WYIRCAYXFXPLFB-SLQKLLSFSA-N. The full InChI is InChI=1S/C11H14ClF3O2/c1-10(2)6(4-8(12)11(13,14)15)9(10)7(16)5-17-3/h4,6,9H,5H2,1-3H3/b8-4-/t6-,9-/m1/s1.
What are the key properties of 1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone?
1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone has a molecular weight of 270.68 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-2-methoxyethanone is sourced from PubChem (CID 101253634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).