[(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride

C7H14ClF2NO — CID 168906564

IUPAC[(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride
SMILESCN(C)C[C@@]1(CO)CC1(F)F.Cl
InChIInChI=1S/C7H13F2NO.ClH/c1-10(2)4-6(5-11)3-7(6,8)9;/h11H,3-5H2,1-2H3;1H/t6-;/m1./s1
InChIKeyLGPMATXEQZIHLW-FYZOBXCZSA-N
MW201.64 g/mol
LogP0.99
Rot. Bonds3

About [(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride

[(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride (PubChem CID 168906564) has the molecular formula C7H14ClF2NO and a molecular weight of 201.64 g/mol. Its IUPAC name is [(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride
PubChem CID168906564
Molecular FormulaC7H14ClF2NO
Molecular Weight201.64 g/mol
Exact Mass201.07
IUPAC Name[(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride
SMILESCN(C)C[C@@]1(CO)CC1(F)F.Cl
InChIInChI=1S/C7H13F2NO.ClH/c1-10(2)4-6(5-11)3-7(6,8)9;/h11H,3-5H2,1-2H3;1H/t6-;/m1./s1
InChIKeyLGPMATXEQZIHLW-FYZOBXCZSA-N
XLogP0.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.64
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-((Dimethylamino)methyl)cyclopropyl)methanol
CID 82111168
2-[(Dimethylamino)methyl]-3,3-difluorobutan-1-ol
CID 166478687
(R)-(1-((Dimethylamino)methyl)-2,2-difluorocyclopropyl)methanol
CID 167284466
(S)-(1-((Dimethylamino)methyl)-2,2-difluorocyclopropyl)methanol
CID 168906596
[1-[(Dimethylamino)methyl]-2,2-difluoro-cyclopropyl]methanol hydrochloride
CID 169727723
[1-[(Dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol
CID 169727724
[1-[[2-Fluorobutyl(methyl)amino]methyl]cyclopropyl]methanol
CID 172348858
[1-[(Dimethylamino)methyl]-2-fluoro-2-phosphanylcyclopropyl]methanol
CID 172596613
[(1R)-2,2-difluoro-1-(methylaminomethyl)cyclopropyl]methanol
CID 176216801
[(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane
CID 177329801
[1-[(Dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane
CID 177330121
[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane
CID 177330189

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride?
The IUPAC name of [(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride (CID 168906564) is [(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride.
What is the SMILES notation for [(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride?
The canonical SMILES for [(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride is CN(C)C[C@@]1(CO)CC1(F)F.Cl.
What is the InChIKey of [(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride?
The InChIKey is LGPMATXEQZIHLW-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H13F2NO.ClH/c1-10(2)4-6(5-11)3-7(6,8)9;/h11H,3-5H2,1-2H3;1H/t6-;/m1./s1.
What are the key properties of [(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride?
[(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride has a molecular weight of 201.64 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;hydrochloride is sourced from PubChem (CID 168906564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).