2-methylidene-4-(trifluoromethyl)pyrrolidine

C6H8F3N — CID 170598574

IUPAC2-methylidene-4-(trifluoromethyl)pyrrolidine
SMILESC=C1CC(C(F)(F)F)CN1
InChIInChI=1S/C6H8F3N/c1-4-2-5(3-10-4)6(7,8)9/h5,10H,1-3H2
InChIKeyNZIWJWCIBGCYBZ-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.67
Rot. Bonds

About 2-methylidene-4-(trifluoromethyl)pyrrolidine

2-methylidene-4-(trifluoromethyl)pyrrolidine (PubChem CID 170598574) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 2-methylidene-4-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name2-methylidene-4-(trifluoromethyl)pyrrolidine
PubChem CID170598574
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name2-methylidene-4-(trifluoromethyl)pyrrolidine
SMILESC=C1CC(C(F)(F)F)CN1
InChIInChI=1S/C6H8F3N/c1-4-2-5(3-10-4)6(7,8)9/h5,10H,1-3H2
InChIKeyNZIWJWCIBGCYBZ-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-(trifluoromethyl)pyrrolidine?
The IUPAC name of 2-methylidene-4-(trifluoromethyl)pyrrolidine (CID 170598574) is 2-methylidene-4-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 2-methylidene-4-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 2-methylidene-4-(trifluoromethyl)pyrrolidine is C=C1CC(C(F)(F)F)CN1.
What is the InChIKey of 2-methylidene-4-(trifluoromethyl)pyrrolidine?
The InChIKey is NZIWJWCIBGCYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c1-4-2-5(3-10-4)6(7,8)9/h5,10H,1-3H2.
What are the key properties of 2-methylidene-4-(trifluoromethyl)pyrrolidine?
2-methylidene-4-(trifluoromethyl)pyrrolidine has a molecular weight of 151.13 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 170598574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).