4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine

C10H19F2N — CID 178101838

IUPAC4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CC(C(F)F)CN1C
InChIInChI=1S/C10H19F2N/c1-7(2)4-9-5-8(10(11)12)6-13(9)3/h7-10H,4-6H2,1-3H3
InChIKeyKCPXQDNGBPRMFR-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.62
Rot. Bonds3

About 4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine

4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine (PubChem CID 178101838) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine
PubChem CID178101838
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CC(C(F)F)CN1C
InChIInChI=1S/C10H19F2N/c1-7(2)4-9-5-8(10(11)12)6-13(9)3/h7-10H,4-6H2,1-3H3
InChIKeyKCPXQDNGBPRMFR-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine (CID 178101838) is 4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine is CC(C)CC1CC(C(F)F)CN1C.
What is the InChIKey of 4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine?
The InChIKey is KCPXQDNGBPRMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-7(2)4-9-5-8(10(11)12)6-13(9)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine?
4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine has a molecular weight of 191.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-methyl-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 178101838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).