3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride

C4H9ClF3NO — CID 73018179

IUPAC3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride
SMILESCl.NC(CCO)C(F)(F)F
InChIInChI=1S/C4H8F3NO.ClH/c5-4(6,7)3(8)1-2-9;/h3,9H,1-2,8H2;1H
InChIKeyNRAPSDJOBAOKER-UHFFFAOYSA-N
MW179.57 g/mol
LogP0.68
Rot. Bonds2

About 3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride

3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride (PubChem CID 73018179) has the molecular formula C4H9ClF3NO and a molecular weight of 179.57 g/mol. Its IUPAC name is 3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride
PubChem CID73018179
Molecular FormulaC4H9ClF3NO
Molecular Weight179.57 g/mol
Exact Mass179.03
IUPAC Name3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride
SMILESCl.NC(CCO)C(F)(F)F
InChIInChI=1S/C4H8F3NO.ClH/c5-4(6,7)3(8)1-2-9;/h3,9H,1-2,8H2;1H
InChIKeyNRAPSDJOBAOKER-UHFFFAOYSA-N
XLogP0.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.57
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4-fluorobutan-1-ol
CID 53878963
(2S)-2-amino-3,3-difluoropropan-1-ol hydrochloride
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3-Amino-4,4,4-trifluorobutan-1-ol
CID 45358255
(2R)-2-amino-3,3,3-trifluoropropan-1-ol hydrochloride
CID 49793512
2-Amino-3,3,3-trifluoro-1-propanol hydrochloride
CID 53416421
2-Amino-4,4,4-trifluorobutan-1-ol hydrochloride
CID 53416432
(2S)-2-amino-3,3,3-trifluoropropan-1-ol hydrochloride
CID 72214703
(2S)-2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butan-1-ol hydrochloride
CID 86616001
(2S)-2-amino-4,4,4-trifluorobutan-1-ol
CID 86669707
3-Amino-4,4-difluorobutan-1-ol
CID 105427236
2-Amino-3,3-difluoropropan-1-ol hydrochloride
CID 134820976
3-Amino-1,1-difluoropentan-2-ol hydrochloride
CID 121552371

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride?
The IUPAC name of 3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride (CID 73018179) is 3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride is Cl.NC(CCO)C(F)(F)F.
What is the InChIKey of 3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride?
The InChIKey is NRAPSDJOBAOKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO.ClH/c5-4(6,7)3(8)1-2-9;/h3,9H,1-2,8H2;1H.
What are the key properties of 3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride?
3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride has a molecular weight of 179.57 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,4-trifluorobutan-1-ol;hydrochloride is sourced from PubChem (CID 73018179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).