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

C9H19F2NO — CID 177330189

IUPAC[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane
SMILESCC.CN(C)C[C@]1(CO)CC1(F)F
InChIInChI=1S/C7H13F2NO.C2H6/c1-10(2)4-6(5-11)3-7(6,8)9;1-2/h11H,3-5H2,1-2H3;1-2H3/t6-;/m0./s1
InChIKeyTZXKYXFSBBCBDK-RGMNGODLSA-N
MW195.25 g/mol
LogP1.59
Rot. Bonds3

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

[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane (PubChem CID 177330189) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane.

Molecular Properties

Compound Name[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane
PubChem CID177330189
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane
SMILESCC.CN(C)C[C@]1(CO)CC1(F)F
InChIInChI=1S/C7H13F2NO.C2H6/c1-10(2)4-6(5-11)3-7(6,8)9;1-2/h11H,3-5H2,1-2H3;1-2H3/t6-;/m0./s1
InChIKeyTZXKYXFSBBCBDK-RGMNGODLSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-((Dimethylamino)methyl)cyclopropyl)methanol
CID 82111168
{1-[(Diethylamino)methyl]cyclopropyl}methanol
CID 94252158
(1-{[Ethyl(methyl)amino]methyl}cyclopropyl)methanol
CID 115243301
(1-((4,4-Difluoropiperidin-1-yl)methyl)cyclopropyl)methanol
CID 116991256
[1-[(3,3-Difluoro-1-piperidyl)methyl]cyclopropyl]methanol
CID 116991375
(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
ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 166534171
(R)-(1-((Dimethylamino)methyl)-2,2-difluorocyclopropyl)methanol
CID 167284466
[(1R)-1-[(dimethylamino)methyl]-2,2-difluoro-cyclopropyl]methanol;hydrochloride
CID 168906564

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane?
The IUPAC name of [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane (CID 177330189) is [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane.
What is the SMILES notation for [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane?
The canonical SMILES for [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane is CC.CN(C)C[C@]1(CO)CC1(F)F.
What is the InChIKey of [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane?
The InChIKey is TZXKYXFSBBCBDK-RGMNGODLSA-N. The full InChI is InChI=1S/C7H13F2NO.C2H6/c1-10(2)4-6(5-11)3-7(6,8)9;1-2/h11H,3-5H2,1-2H3;1-2H3/t6-;/m0./s1.
What are the key properties of [(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane?
[(1S)-1-[(dimethylamino)methyl]-2,2-difluorocyclopropyl]methanol;ethane has a molecular weight of 195.25 g/mol, XLogP of 1.59, 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;ethane is sourced from PubChem (CID 177330189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).