[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane

C12H23F2NO — CID 166533365

IUPAC[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane
SMILESCCC.OCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C9H15F2NO.C3H8/c10-9(11)3-4-12(6-9)5-8(7-13)1-2-8;1-3-2/h13H,1-7H2;3H2,1-2H3
InChIKeySHRUFXYKFSQVQA-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.52
Rot. Bonds3

About [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane

[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane (PubChem CID 166533365) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane.

Molecular Properties

Compound Name[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane
PubChem CID166533365
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane
SMILESCCC.OCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C9H15F2NO.C3H8/c10-9(11)3-4-12(6-9)5-8(7-13)1-2-8;1-3-2/h13H,1-7H2;3H2,1-2H3
InChIKeySHRUFXYKFSQVQA-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane?
The IUPAC name of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane (CID 166533365) is [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane.
What is the SMILES notation for [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane?
The canonical SMILES for [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane is CCC.OCC1(CN2CCC(F)(F)C2)CC1.
What is the InChIKey of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane?
The InChIKey is SHRUFXYKFSQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO.C3H8/c10-9(11)3-4-12(6-9)5-8(7-13)1-2-8;1-3-2/h13H,1-7H2;3H2,1-2H3.
What are the key properties of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane?
[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane has a molecular weight of 235.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane is sourced from PubChem (CID 166533365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).