4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine

C11H21F2N — CID 58195216

IUPAC4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(C(F)F)CN1C(C)C
InChIInChI=1S/C11H21F2N/c1-7(2)10-5-9(11(12)13)6-14(10)8(3)4/h7-11H,5-6H2,1-4H3
InChIKeyDVUGGPYLDKBLDT-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.01
Rot. Bonds3

About 4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine

4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 58195216) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
PubChem CID58195216
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(C(F)F)CN1C(C)C
InChIInChI=1S/C11H21F2N/c1-7(2)10-5-9(11(12)13)6-14(10)8(3)4/h7-11H,5-6H2,1-4H3
InChIKeyDVUGGPYLDKBLDT-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of 4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine (CID 58195216) is 4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine is CC(C)C1CC(C(F)F)CN1C(C)C.
What is the InChIKey of 4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is DVUGGPYLDKBLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-7(2)10-5-9(11(12)13)6-14(10)8(3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of 4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine?
4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 205.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58195216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).