cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

C18H15F3O2 — CID 71512338

IUPACcis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(c2ccccc2)C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3O2/c1-23-16(22)17(13-7-3-2-4-8-13)11-15(17)12-6-5-9-14(10-12)18(19,20)21/h2-10,15H,11H2,1H3/t15-,17+/m0/s1
InChIKeyANMUBQWCBQPWEO-DOTOQJQBSA-N
MW320.31 g/mol
LogP4.30
Rot. Bonds3

About cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate

cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate (PubChem CID 71512338) has the molecular formula C18H15F3O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
PubChem CID71512338
Molecular FormulaC18H15F3O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Namecis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@@]1(c2ccccc2)C[C@H]1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15F3O2/c1-23-16(22)17(13-7-3-2-4-8-13)11-15(17)12-6-5-9-14(10-12)18(19,20)21/h2-10,15H,11H2,1H3/t15-,17+/m0/s1
InChIKeyANMUBQWCBQPWEO-DOTOQJQBSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-methyl (1S,2S)-2-(4-cyanophenyl)-1-phenylcyclopropane-1-carboxylate
CID 71511985
trans-methyl (1R,2S)-2-phenyl-1-thiophen-3-ylcyclopropane-1-carboxylate
CID 11097247
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
trans-methyl (1R,2S)-2-phenyl-1-(4-tributylstannylphenyl)cyclopropane-1-carboxylate
CID 11842872
methyl (1S)-2-[(dimethylamino)methyl]-1-phenylcyclopropane-1-carboxylate;hydrochloride
CID 45261511
1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 175894440
2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid
CID 138056859
methyl (3S,5R)-5-[3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 97053978
methyl 2-[(1R,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]acetate
CID 101035785
dimethyl 2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarboxylate
CID 54464273
4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 152780099
methyl 3-methyl-2-propan-2-yl-3-[3-(trifluoromethyl)phenyl]oxirane-2-carboxylate
CID 79304024

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate (CID 71512338) is cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate is COC(=O)[C@@]1(c2ccccc2)C[C@H]1c1cccc(C(F)(F)F)c1.
What is the InChIKey of cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
The InChIKey is ANMUBQWCBQPWEO-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H15F3O2/c1-23-16(22)17(13-7-3-2-4-8-13)11-15(17)12-6-5-9-14(10-12)18(19,20)21/h2-10,15H,11H2,1H3/t15-,17+/m0/s1.
What are the key properties of cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate?
cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate has a molecular weight of 320.31 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 71512338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).