3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol

C9H17F2NO — CID 176752780

IUPAC3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol
SMILESCC(C)CNCC1(O)CC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)3-12-6-8(13)4-9(10,11)5-8/h7,12-13H,3-6H2,1-2H3
InChIKeyMIGVPMFHUSVEMG-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.39
Rot. Bonds4

About 3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol

3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol (PubChem CID 176752780) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol
PubChem CID176752780
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol
SMILESCC(C)CNCC1(O)CC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-7(2)3-12-6-8(13)4-9(10,11)5-8/h7,12-13H,3-6H2,1-2H3
InChIKeyMIGVPMFHUSVEMG-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Ethylamino)methyl]cyclobutan-1-ol
CID 81251442
3,3-Difluoro-2,4-dimethyl-1-(methylamino)pentan-2-ol
CID 156547546
3-[(3,3,3-Trifluoropropylamino)methyl]pentan-3-ol
CID 65111054
2-Methyl-1-(3,3,3-trifluoropropylamino)butan-2-ol
CID 65111139
3-[(2,2,2-Trifluoroethylamino)methyl]pentan-3-ol
CID 65111281
3-[(2,2-Difluoroethylamino)methyl]pentan-3-ol
CID 65111387
5,5,5-Trifluoro-2-methyl-1-(propan-2-ylamino)pentan-2-ol
CID 66037252
5,5,5-Trifluoro-2-methyl-1-(propylamino)pentan-2-ol
CID 66037473
1-(Ethylamino)-5,5,5-trifluoro-2-methylpentan-2-ol
CID 66037935
1-(Tert-butylamino)-5,5,5-trifluoro-2-methylpentan-2-ol
CID 66038219
5,5,5-Trifluoro-2-methyl-1-(2-methylpropylamino)pentan-2-ol
CID 66039667
2,4-Dimethyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 66171657

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol (CID 176752780) is 3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol is CC(C)CNCC1(O)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol?
The InChIKey is MIGVPMFHUSVEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)3-12-6-8(13)4-9(10,11)5-8/h7,12-13H,3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol?
3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol has a molecular weight of 193.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 176752780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).