[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol

C7H13F2NO — CID 168906596

IUPAC[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol
SMILESCN(C)C[C@]1(CO)CC1(F)F
InChIInChI=1S/C7H13F2NO/c1-10(2)4-6(5-11)3-7(6,8)9/h11H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyGUEXVHFHKFOWHZ-LURJTMIESA-N
MW165.18 g/mol
LogP0.57
Rot. Bonds3

About [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol

[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol (PubChem CID 168906596) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol.

Molecular Properties

Compound Name[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol
PubChem CID168906596
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol
SMILESCN(C)C[C@]1(CO)CC1(F)F
InChIInChI=1S/C7H13F2NO/c1-10(2)4-6(5-11)3-7(6,8)9/h11H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyGUEXVHFHKFOWHZ-LURJTMIESA-N
XLogP0.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-((Dimethylamino)methyl)cyclopropyl)methanol
CID 82111168
(1-((3,3-Difluoropyrrolidin-1-YL)methyl)cyclopropyl)methanol
CID 116991627
2-[(Dimethylamino)methyl]-3,3-difluorobutan-1-ol
CID 166478687
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;propane
CID 166533365
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methanol;ethane
CID 166533706
(R)-(1-((Dimethylamino)methyl)-2,2-difluorocyclopropyl)methanol
CID 167284466
(R)-(1-((Dimethylamino)methyl)-2,2-difluorocyclopropyl)methanol hydrochloride
CID 168906564
[1-[(Dimethylamino)methyl]-2,2-difluoro-cyclopropyl]methanol hydrochloride
CID 169727723
[1-[(Dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol
CID 169727724
1-[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 169852617
[1-[(3,3-Difluoroazetidin-1-yl)methyl]cyclopropyl]methanol
CID 169901466
1-[2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 170601520

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol?
The IUPAC name of [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol (CID 168906596) is [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol.
What is the SMILES notation for [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol?
The canonical SMILES for [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol is CN(C)C[C@]1(CO)CC1(F)F.
What is the InChIKey of [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol?
The InChIKey is GUEXVHFHKFOWHZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10(2)4-6(5-11)3-7(6,8)9/h11H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol?
[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol has a molecular weight of 165.18 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol is sourced from PubChem (CID 168906596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).