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

C8H17F2NO — CID 102870095

IUPAC1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol
SMILESCC(C)C(O)CNC(C)C(F)F
InChIInChI=1S/C8H17F2NO/c1-5(2)7(12)4-11-6(3)8(9)10/h5-8,11-12H,4H2,1-3H3
InChIKeyKNNXHONUUQQVET-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.25
Rot. Bonds5

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

1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol (PubChem CID 102870095) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol
PubChem CID102870095
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol
SMILESCC(C)C(O)CNC(C)C(F)F
InChIInChI=1S/C8H17F2NO/c1-5(2)7(12)4-11-6(3)8(9)10/h5-8,11-12H,4H2,1-3H3
InChIKeyKNNXHONUUQQVET-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

1,1,1-Trifluoro-3-[(propan-2-yl)amino]propan-2-ol
CID 19417382
3,3-Dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 61323948
1,1,1-Trifluoro-3-(isopentylamino)propan-2-ol
CID 61529702
1,1,1-Trifluoro-3-[(2-methylpropyl)amino]propan-2-ol
CID 61529835
3-(2,2-Dimethylpropylamino)-1,1,1-trifluoropropan-2-ol
CID 63002018
1,1-Difluoro-3-(propan-2-ylamino)propan-2-ol
CID 80604363
(3S)-2-(4,4,4-trifluorobutylamino)hexan-3-ol
CID 146647597
1-(Ethylamino)-4,4,4-trifluorobutan-2-ol
CID 155139118
4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol
CID 155346513
4-(Propan-2-ylamino)-2-(trifluoromethyl)butan-1-ol
CID 155618379
(2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 156694086
3,3-Difluoro-1-(2-methylpropylamino)butan-2-ol
CID 161229803

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol?
The IUPAC name of 1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol (CID 102870095) is 1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol?
The canonical SMILES for 1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol is CC(C)C(O)CNC(C)C(F)F.
What is the InChIKey of 1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol?
The InChIKey is KNNXHONUUQQVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-5(2)7(12)4-11-6(3)8(9)10/h5-8,11-12H,4H2,1-3H3.
What are the key properties of 1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol?
1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-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 1-(1,1-difluoropropan-2-ylamino)-3-methylbutan-2-ol is sourced from PubChem (CID 102870095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).