(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine

C10H19F2N — CID 58279608

IUPAC(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@H]1CCCN1CC(F)F
InChIInChI=1S/C10H19F2N/c1-8(2)6-9-4-3-5-13(9)7-10(11)12/h8-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyKHXPSQOTRUTGEH-SECBINFHSA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds4

About (2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine

(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 58279608) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is (2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
PubChem CID58279608
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)C[C@H]1CCCN1CC(F)F
InChIInChI=1S/C10H19F2N/c1-8(2)6-9-4-3-5-13(9)7-10(11)12/h8-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyKHXPSQOTRUTGEH-SECBINFHSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of (2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine (CID 58279608) is (2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine is CC(C)C[C@H]1CCCN1CC(F)F.
What is the InChIKey of (2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is KHXPSQOTRUTGEH-SECBINFHSA-N. The full InChI is InChI=1S/C10H19F2N/c1-8(2)6-9-4-3-5-13(9)7-10(11)12/h8-10H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine?
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 191.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 58279608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).