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

C9H15F2NO — CID 116991627

IUPAC[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C9H15F2NO/c10-9(11)3-4-12(6-9)5-8(7-13)1-2-8/h13H,1-7H2
InChIKeyPTUSEHGLYFXGMA-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.10
Rot. Bonds3

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

[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol (PubChem CID 116991627) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol
PubChem CID116991627
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCC(F)(F)C2)CC1
InChIInChI=1S/C9H15F2NO/c10-9(11)3-4-12(6-9)5-8(7-13)1-2-8/h13H,1-7H2
InChIKeyPTUSEHGLYFXGMA-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-((Pyrrolidin-1-yl)methyl)cyclopropyl)methanol
CID 66854227
((3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl)methanol
CID 134249504
[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]methanol
CID 62370649
[1-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]methanol
CID 62371016
[1-Methyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 105440415
[1-[[(3R)-3-Fluoropyrrolidin-1-YL]methyl]cyclopropyl]methanol
CID 155348589
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
CID 156062281
(3S)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-ol
CID 156414889
(1-((3-Fluoropyrrolidin-1-YL)methyl)cyclopropyl)methanol
CID 162341985
[1-[[(3S)-3-Fluoropyrrolidin-1-YL]methyl]cyclopropyl]methanol
CID 162341986
[1-[(3-Fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite
CID 166533176
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane
CID 166533365

Frequently Asked Questions

What is the IUPAC name of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol (CID 116991627) is [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol is OCC1(CN2CCC(F)(F)C2)CC1.
What is the InChIKey of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol?
The InChIKey is PTUSEHGLYFXGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)3-4-12(6-9)5-8(7-13)1-2-8/h13H,1-7H2.
What are the key properties of [1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol?
[1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol has a molecular weight of 191.22 g/mol, XLogP of 1.10, 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 is sourced from PubChem (CID 116991627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).