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

C11H21F2NO — CID 166533706

IUPAC[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane
SMILESCC.OCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C9H15F2NO.C2H6/c10-9(11)3-4-12(6-9)5-8(7-13)1-2-8;1-2/h13H,1-7H2;1-2H3
InChIKeyJNCIGVUHUQNDCF-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.13
Rot. Bonds3

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

[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane (PubChem CID 166533706) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane.

Molecular Properties

Compound Name[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane
PubChem CID166533706
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane
SMILESCC.OCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C9H15F2NO.C2H6/c10-9(11)3-4-12(6-9)5-8(7-13)1-2-8;1-2/h13H,1-7H2;1-2H3
InChIKeyJNCIGVUHUQNDCF-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.13
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;ethane?
The IUPAC name of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane (CID 166533706) is [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane.
What is the SMILES notation for [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane?
The canonical SMILES for [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane is CC.OCC1(CN2CCC(F)(F)C2)CC1.
What is the InChIKey of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane?
The InChIKey is JNCIGVUHUQNDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO.C2H6/c10-9(11)3-4-12(6-9)5-8(7-13)1-2-8;1-2/h13H,1-7H2;1-2H3.
What are the key properties of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane?
[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane has a molecular weight of 221.29 g/mol, XLogP of 2.13, 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;ethane is sourced from PubChem (CID 166533706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).