1-(2,2-difluoroethylamino)-2-methylpentan-2-ol

C8H17F2NO — CID 106292920

IUPAC1-(2,2-difluoroethylamino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(F)F
InChIInChI=1S/C8H17F2NO/c1-3-4-8(2,12)6-11-5-7(9)10/h7,11-12H,3-6H2,1-2H3
InChIKeyWUISMZQUPKKDML-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds6

About 1-(2,2-difluoroethylamino)-2-methylpentan-2-ol

1-(2,2-difluoroethylamino)-2-methylpentan-2-ol (PubChem CID 106292920) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethylamino)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2,2-difluoroethylamino)-2-methylpentan-2-ol
PubChem CID106292920
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1-(2,2-difluoroethylamino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(F)F
InChIInChI=1S/C8H17F2NO/c1-3-4-8(2,12)6-11-5-7(9)10/h7,11-12H,3-6H2,1-2H3
InChIKeyWUISMZQUPKKDML-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)piperidin-3-ol
CID 50990623
1,1,1-Trifluoro-4,4-dimethyl-2-(methylaminomethyl)pentan-2-ol
CID 57672652
(3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 59459016
(3S)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 59459432
3-(Difluoromethyl)piperidin-3-ol
CID 71756930
(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 143471626
(2R)-3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 149846286
3,3-Difluoro-2,4-dimethyl-1-(methylamino)pentan-2-ol
CID 156547546
3-(Decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 157184165
2-(Aminomethyl)-1,1,1-trifluoro-3-(methylamino)hexan-2-ol
CID 163994336
4,4-Difluoro-3-methylpiperidin-3-ol
CID 168906655
3,3-Difluoro-1-[(2-methylpropylamino)methyl]cyclobutan-1-ol
CID 176752780

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethylamino)-2-methylpentan-2-ol?
The IUPAC name of 1-(2,2-difluoroethylamino)-2-methylpentan-2-ol (CID 106292920) is 1-(2,2-difluoroethylamino)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(2,2-difluoroethylamino)-2-methylpentan-2-ol?
The canonical SMILES for 1-(2,2-difluoroethylamino)-2-methylpentan-2-ol is CCCC(C)(O)CNCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethylamino)-2-methylpentan-2-ol?
The InChIKey is WUISMZQUPKKDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-3-4-8(2,12)6-11-5-7(9)10/h7,11-12H,3-6H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethylamino)-2-methylpentan-2-ol?
1-(2,2-difluoroethylamino)-2-methylpentan-2-ol has a molecular weight of 181.23 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethylamino)-2-methylpentan-2-ol is sourced from PubChem (CID 106292920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).