(2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol

C8H17F2NO — CID 177078728

IUPAC(2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol
SMILESCC(C)(C)N[C@H](CO)CC(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,3)11-6(5-12)4-7(9)10/h6-7,11-12H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyYJTDWRJWJVUSMH-LURJTMIESA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds4

About (2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol

(2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol (PubChem CID 177078728) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol
PubChem CID177078728
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name(2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol
SMILESCC(C)(C)N[C@H](CO)CC(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,3)11-6(5-12)4-7(9)10/h6-7,11-12H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyYJTDWRJWJVUSMH-LURJTMIESA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(S)-2-Isopropylamino-3-methyl-1-butanol
CID 13778611
2-[2-(Tert-butylamino)ethylamino]butan-1-ol
CID 470076
2-[(2,2,2-Trifluoroethyl)amino]butan-1-ol
CID 43499784
2-Methyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 43499804
2-[(1,1-Difluoro-2-methylpropan-2-yl)amino]ethan-1-ol
CID 53764457
3-(Tert-butylamino)-1,1,1-trifluoropropan-2-ol
CID 57957354
2-(2,2-Difluoroethylamino)-2-methylpropan-1-ol
CID 60922930
3,3-Dimethyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 61323948
3,3,3-Trifluoro-2-(propan-2-ylamino)propan-1-ol
CID 83816246
2-[(3-Amino-1,1,1-trifluoro-2-methylpropan-2-yl)amino]propan-1-ol
CID 123609211
2-(Trifluoromethylamino)butan-1-ol
CID 141168185
[3,3-Difluoro-1-(propan-2-ylamino)cyclobutyl]methanol
CID 146476194

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol?
The IUPAC name of (2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol (CID 177078728) is (2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol.
What is the SMILES notation for (2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol?
The canonical SMILES for (2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol is CC(C)(C)N[C@H](CO)CC(F)F.
What is the InChIKey of (2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol?
The InChIKey is YJTDWRJWJVUSMH-LURJTMIESA-N. The full InChI is InChI=1S/C8H17F2NO/c1-8(2,3)11-6(5-12)4-7(9)10/h6-7,11-12H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol?
(2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol has a molecular weight of 181.23 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 (2S)-2-(tert-butylamino)-4,4-difluorobutan-1-ol is sourced from PubChem (CID 177078728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).