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

C8H16F3NO — CID 177078708

IUPAC(2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol
SMILESCC(C)(C)N[C@H](CO)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3)12-6(5-13)4-8(9,10)11/h6,12-13H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyMQCNTEYQNLDJLD-LURJTMIESA-N
MW199.22 g/mol
LogP1.69
Rot. Bonds3

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

(2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol (PubChem CID 177078708) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol
PubChem CID177078708
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name(2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol
SMILESCC(C)(C)N[C@H](CO)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3)12-6(5-13)4-8(9,10)11/h6,12-13H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyMQCNTEYQNLDJLD-LURJTMIESA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.69
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)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of (2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol (CID 177078708) is (2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for (2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for (2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol is CC(C)(C)N[C@H](CO)CC(F)(F)F.
What is the InChIKey of (2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol?
The InChIKey is MQCNTEYQNLDJLD-LURJTMIESA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,3)12-6(5-13)4-8(9,10)11/h6,12-13H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol?
(2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 177078708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).