(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine

C7H10F3N — CID 155160727

IUPAC(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
SMILESC/C(=C1\CCNC1)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5(7(8,9)10)6-2-3-11-4-6/h11H,2-4H2,1H3/b6-5-
InChIKeyPCFIVZHQESPFCY-WAYWQWQTSA-N
MW165.16 g/mol
LogP1.86
Rot. Bonds

About (3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine

(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine (PubChem CID 155160727) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine.

Molecular Properties

Compound Name(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
PubChem CID155160727
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
SMILESC/C(=C1\CCNC1)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-5(7(8,9)10)6-2-3-11-4-6/h11H,2-4H2,1H3/b6-5-
InChIKeyPCFIVZHQESPFCY-WAYWQWQTSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine?
The IUPAC name of (3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine (CID 155160727) is (3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine.
What is the SMILES notation for (3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine?
The canonical SMILES for (3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine is C/C(=C1\CCNC1)C(F)(F)F.
What is the InChIKey of (3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine?
The InChIKey is PCFIVZHQESPFCY-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H10F3N/c1-5(7(8,9)10)6-2-3-11-4-6/h11H,2-4H2,1H3/b6-5-.
What are the key properties of (3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine?
(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine has a molecular weight of 165.16 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine is sourced from PubChem (CID 155160727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).