3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol

C8H17F2NO — CID 102869912

IUPAC3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol
SMILESCC(NCC(C)(C)CO)C(F)F
InChIInChI=1S/C8H17F2NO/c1-6(7(9)10)11-4-8(2,3)5-12/h6-7,11-12H,4-5H2,1-3H3
InChIKeyUVVFLNLLAHTVJZ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.25
Rot. Bonds5

About 3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol

3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol (PubChem CID 102869912) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol
PubChem CID102869912
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol
SMILESCC(NCC(C)(C)CO)C(F)F
InChIInChI=1S/C8H17F2NO/c1-6(7(9)10)11-4-8(2,3)5-12/h6-7,11-12H,4-5H2,1-3H3
InChIKeyUVVFLNLLAHTVJZ-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(heptan-4-ylamino)-2,2-dimethylpropan-1-ol
CID 115359046
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 81411042
2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 103513975
N-(1,1-difluoropropan-2-yl)-3,3,3-trifluoropropan-1-amine
CID 102869530
N-carbamoyl-2-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 115359996
3-(2,2-dimethylbutylamino)butan-2-ol
CID 103461276
3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol
CID 115894985
3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414849
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol
CID 115359242
6-(1,1-difluoropropan-2-ylamino)hexan-1-ol
CID 107849401
3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropan-1-ol
CID 81411966

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol (CID 102869912) is 3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol is CC(NCC(C)(C)CO)C(F)F.
What is the InChIKey of 3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol?
The InChIKey is UVVFLNLLAHTVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-6(7(9)10)11-4-8(2,3)5-12/h6-7,11-12H,4-5H2,1-3H3.
What are the key properties of 3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol?
3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropan-2-ylamino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 102869912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).