(3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol

C6H11F2NO — CID 139345783

IUPAC(3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol
SMILESCN1C[C@@H](O)[C@H](C(F)F)C1
InChIInChI=1S/C6H11F2NO/c1-9-2-4(6(7)8)5(10)3-9/h4-6,10H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyVOXNMDZMUZEUJP-RFZPGFLSSA-N
MW151.16 g/mol
LogP0.17
Rot. Bonds1

About (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol

(3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol (PubChem CID 139345783) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol
PubChem CID139345783
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name(3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol
SMILESCN1C[C@@H](O)[C@H](C(F)F)C1
InChIInChI=1S/C6H11F2NO/c1-9-2-4(6(7)8)5(10)3-9/h4-6,10H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyVOXNMDZMUZEUJP-RFZPGFLSSA-N
XLogP0.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol (CID 139345783) is (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol is CN1C[C@@H](O)[C@H](C(F)F)C1.
What is the InChIKey of (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is VOXNMDZMUZEUJP-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-9-2-4(6(7)8)5(10)3-9/h4-6,10H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol?
(3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 151.16 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(difluoromethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 139345783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).