2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol

C7H15F2NO — CID 166478687

IUPAC2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol
SMILESCN(C)CC(CO)C(C)(F)F
InChIInChI=1S/C7H15F2NO/c1-7(8,9)6(5-11)4-10(2)3/h6,11H,4-5H2,1-3H3
InChIKeyCBCJNQCYMLZLPR-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.81
Rot. Bonds4

About 2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol

2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol (PubChem CID 166478687) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol
PubChem CID166478687
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol
SMILESCN(C)CC(CO)C(C)(F)F
InChIInChI=1S/C7H15F2NO/c1-7(8,9)6(5-11)4-10(2)3/h6,11H,4-5H2,1-3H3
InChIKeyCBCJNQCYMLZLPR-UHFFFAOYSA-N
XLogP0.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[1-(2,2-Difluoroethyl)pyrrolidin-3-yl]methanol
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[1-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]methanol
CID 62371016
3-(Dimethylamino)-2,2-difluoropropan-1-ol
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1-[[(2S)-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 138642088
[3,3-Difluoro-2-(hydroxymethyl)butyl]-methylazanium
CID 153565684
3,3-Difluoro-2-[[methyl(propan-2-yl)amino]methyl]butan-1-ol
CID 166478752
(R)-(1-((Dimethylamino)methyl)-2,2-difluorocyclopropyl)methanol
CID 167284466
(R)-(1-((Dimethylamino)methyl)-2,2-difluorocyclopropyl)methanol hydrochloride
CID 168906564
(S)-(1-((Dimethylamino)methyl)-2,2-difluorocyclopropyl)methanol
CID 168906596
[1-[(Dimethylamino)methyl]-2,2-difluoro-cyclopropyl]methanol hydrochloride
CID 169727723

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol (CID 166478687) is 2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol is CN(C)CC(CO)C(C)(F)F.
What is the InChIKey of 2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol?
The InChIKey is CBCJNQCYMLZLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-7(8,9)6(5-11)4-10(2)3/h6,11H,4-5H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol?
2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol has a molecular weight of 167.20 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3,3-difluorobutan-1-ol is sourced from PubChem (CID 166478687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).