2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol

C9H17F2NO — CID 103867022

IUPAC2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)CC1CCC1
InChIInChI=1S/C9H17F2NO/c10-9(11)7-12(4-5-13)6-8-2-1-3-8/h8-9,13H,1-7H2
InChIKeyDNUMEQNMAJFNNE-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.35
Rot. Bonds6

About 2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol

2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol (PubChem CID 103867022) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol
PubChem CID103867022
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)CC1CCC1
InChIInChI=1S/C9H17F2NO/c10-9(11)7-12(4-5-13)6-8-2-1-3-8/h8-9,13H,1-7H2
InChIKeyDNUMEQNMAJFNNE-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,3-Difluorocyclobutyl)methyl-methylamino]ethanol
CID 156297917
Ethane;2-(4-ethyl-3,3-difluoropyrrolidin-1-yl)ethanol
CID 170603780
2-(3,3-Difluoro-4-methylpiperidin-1-yl)ethyloxidanium
CID 177321822
3-[Cyclobutylmethyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900207
1,1,1-Trifluoro-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propan-2-ol
CID 63901865
3-[[Methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol
CID 65980845
2-[Pentyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103660976
2-[Cyclobutylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103734629
2-[3-Methylbutyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103856842
2-[Cyclopentylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864876
2-[2-Methylbutyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864944
2-[2-Cyclopropylethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103864995

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol (CID 103867022) is 2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol is OCCN(CC(F)F)CC1CCC1.
What is the InChIKey of 2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol?
The InChIKey is DNUMEQNMAJFNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)7-12(4-5-13)6-8-2-1-3-8/h8-9,13H,1-7H2.
What are the key properties of 2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol?
2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol has a molecular weight of 193.24 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 103867022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).