3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol

C7H12F3NO — CID 130918509

IUPAC3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol
SMILESCN(CC(F)(F)F)C1CC(O)C1
InChIInChI=1S/C7H12F3NO/c1-11(4-7(8,9)10)5-2-6(12)3-5/h5-6,12H,2-4H2,1H3
InChIKeyXTYARKVXCXNBEB-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.00
Rot. Bonds2

About 3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol

3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol (PubChem CID 130918509) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol
PubChem CID130918509
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol
SMILESCN(CC(F)(F)F)C1CC(O)C1
InChIInChI=1S/C7H12F3NO/c1-11(4-7(8,9)10)5-2-6(12)3-5/h5-6,12H,2-4H2,1H3
InChIKeyXTYARKVXCXNBEB-UHFFFAOYSA-N
XLogP1.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylamino)cyclobutan-1-ol hydrochloride
CID 91647553
3-(4,4-Difluoropiperidin-1-yl)cyclobutan-1-ol
CID 25057511
3-(Dimethylamino)cyclobutan-1-ol
CID 57454475
4-[Methyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 61763973
4-[Methyl(trifluoromethyl)amino]pentan-2-ol
CID 140780839
3-(3-Fluoroazetidin-1-yl)cyclobutan-1-ol
CID 146463269
3-(3,3-Difluoroazetidin-1-yl)cyclobutan-1-ol
CID 146463789
4-(Dimethylamino)-1,1-difluorobutan-2-ol
CID 165632332
3-[2-(Trifluoromethyl)pyrrolidin-1-yl]cyclobutan-1-ol
CID 176218205
3-(3,3-Difluoropyrrolidin-1-yl)cyclobutan-1-ol
CID 176218212
N-ethyl-N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 178108712
4-(Dimethylamino)-1,1,1-trifluorobutan-2-ol
CID 20309080

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol (CID 130918509) is 3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol is CN(CC(F)(F)F)C1CC(O)C1.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol?
The InChIKey is XTYARKVXCXNBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11(4-7(8,9)10)5-2-6(12)3-5/h5-6,12H,2-4H2,1H3.
What are the key properties of 3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol?
3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol has a molecular weight of 183.17 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 130918509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).