1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol

C8H13F2NO — CID 80605682

IUPAC1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)F)CCN(C2CC2)C1
InChIInChI=1S/C8H13F2NO/c9-7(10)8(12)3-4-11(5-8)6-1-2-6/h6-7,12H,1-5H2
InChIKeyRWNMHTZAVJFVTA-UHFFFAOYSA-N
MW177.19 g/mol
LogP0.85
Rot. Bonds2

About 1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol

1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol (PubChem CID 80605682) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol
PubChem CID80605682
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)F)CCN(C2CC2)C1
InChIInChI=1S/C8H13F2NO/c9-7(10)8(12)3-4-11(5-8)6-1-2-6/h6-7,12H,1-5H2
InChIKeyRWNMHTZAVJFVTA-UHFFFAOYSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol (CID 80605682) is 1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol is OC1(C(F)F)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol?
The InChIKey is RWNMHTZAVJFVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-7(10)8(12)3-4-11(5-8)6-1-2-6/h6-7,12H,1-5H2.
What are the key properties of 1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol?
1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol has a molecular weight of 177.19 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(difluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 80605682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).