3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine

C12H12F3N — CID 79880639

IUPAC3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine
SMILESFC(F)(F)c1cccc(C=C2CCNC2)c1
InChIInChI=1S/C12H12F3N/c13-12(14,15)11-3-1-2-9(7-11)6-10-4-5-16-8-10/h1-3,6-7,16H,4-5,8H2
InChIKeyAWGWEKYPAHYENY-UHFFFAOYSA-N
MW227.23 g/mol
LogP3.08
Rot. Bonds1

About 3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine

3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine (PubChem CID 79880639) has the molecular formula C12H12F3N and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine
PubChem CID79880639
Molecular FormulaC12H12F3N
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine
SMILESFC(F)(F)c1cccc(C=C2CCNC2)c1
InChIInChI=1S/C12H12F3N/c13-12(14,15)11-3-1-2-9(7-11)6-10-4-5-16-8-10/h1-3,6-7,16H,4-5,8H2
InChIKeyAWGWEKYPAHYENY-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene
CID 89386202
1-[(4-methylcyclohexylidene)methyl]-3-(trifluoromethyl)benzene
CID 70967348
3-[[3-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-amine
CID 79880647
3-(piperidin-4-ylidenemethyl)benzaldehyde
CID 165456396
1-[(Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 117269353
(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-oxazolidine-2,4-dithione
CID 164599486
(2Z,6E)-4-methyl-2,6-bis[[3-(trifluoromethyl)phenyl]methylidene]cyclohexan-1-one
CID 2329911
2-[3-(trifluoromethyl)phenyl]ethenone
CID 13054863
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
(5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 154792233
(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one
CID 5476828
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine (CID 79880639) is 3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine is FC(F)(F)c1cccc(C=C2CCNC2)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine?
The InChIKey is AWGWEKYPAHYENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N/c13-12(14,15)11-3-1-2-9(7-11)6-10-4-5-16-8-10/h1-3,6-7,16H,4-5,8H2.
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine?
3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine has a molecular weight of 227.23 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methylidene]pyrrolidine is sourced from PubChem (CID 79880639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).