2-(aminomethyl)-1,1,1-trifluorobutan-2-ol

C5H10F3NO — CID 55255128

IUPAC2-(aminomethyl)-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(CN)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-4(10,3-9)5(6,7)8/h10H,2-3,9H2,1H3
InChIKeyWQKFCTUJIJKRAV-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.65
Rot. Bonds2

About 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol

2-(aminomethyl)-1,1,1-trifluorobutan-2-ol (PubChem CID 55255128) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1,1,1-trifluorobutan-2-ol
PubChem CID55255128
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name2-(aminomethyl)-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(CN)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-4(10,3-9)5(6,7)8/h10H,2-3,9H2,1H3
InChIKeyWQKFCTUJIJKRAV-UHFFFAOYSA-N
XLogP0.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Amino-2-methylbutan-2-ol
CID 3016656
3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol hydrochloride
CID 71757351
4-Amino-1,1,1-trifluoro-2-methyl-2-butanol
CID 79006473
3-Amino-1,1-difluoro-2-methylpropan-2-ol
CID 80611068
1-Amino-2-methylbutan-2-ol hydrochloride
CID 87715344
(3R)-4-amino-3-fluoro-2-methylbutan-2-ol
CID 90134281
(S)-3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol
CID 58442301
3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol
CID 13620759
4-Amino-3,3-difluoro-2-methylbutan-2-ol hydrochloride
CID 138109733
2-Butanol,3-amino-1,1,1-trifluoro-2-methyl-,(2R,3S)-
CID 21585367
3-Amino-4,4,4-trifluoro-2-methylbutan-2-ol hydrochloride
CID 57436252
3-Amino-4,4,4-trifluoro-2-methylbutan-2-ol
CID 57436253

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol (CID 55255128) is 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol is CCC(O)(CN)C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is WQKFCTUJIJKRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-2-4(10,3-9)5(6,7)8/h10H,2-3,9H2,1H3.
What are the key properties of 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol?
2-(aminomethyl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 157.13 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 55255128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).