2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride

C3H7ClF3NO — CID 53416421

IUPAC2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride
SMILESCl.NC(CO)C(F)(F)F
InChIInChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(7)1-8;/h2,8H,1,7H2;1H
InChIKeyHIRRLLQTXSVEDV-UHFFFAOYSA-N
MW165.54 g/mol
LogP0.29
Rot. Bonds1

About 2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride

2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride (PubChem CID 53416421) has the molecular formula C3H7ClF3NO and a molecular weight of 165.54 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride
PubChem CID53416421
Molecular FormulaC3H7ClF3NO
Molecular Weight165.54 g/mol
Exact Mass165.02
IUPAC Name2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride
SMILESCl.NC(CO)C(F)(F)F
InChIInChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(7)1-8;/h2,8H,1,7H2;1H
InChIKeyHIRRLLQTXSVEDV-UHFFFAOYSA-N
XLogP0.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.54
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-1,1,1-trifluoropropan-2-ol hydrochloride
CID 23290109
(2S)-2-amino-3,3-difluoropropan-1-ol hydrochloride
CID 127264163
3-Amino-1,1,1-trifluorobutan-2-ol hydrochloride
CID 14503245
(2S)-3-amino-1,1,1-trifluoropropan-2-ol hydrochloride
CID 47003173
(2R)-3-amino-1,1,1-trifluoropropan-2-ol hydrochloride
CID 47003174
(2R)-2-amino-3,3,3-trifluoropropan-1-ol hydrochloride
CID 49793512
2-Amino-4,4,4-trifluorobutan-1-ol hydrochloride
CID 53416432
2-Amino-3-fluoropropan-1-ol hydrochloride
CID 71755535
(2S)-2-amino-3,3,3-trifluoropropan-1-ol hydrochloride
CID 72214703
3-Amino-4,4,4-trifluorobutan-1-ol hydrochloride
CID 73018179
(2S)-2-amino-4,4,4-trifluorobutan-1-ol
CID 86669707
3-Amino-4,4,4-trifluorobutan-2-ol hydrochloride
CID 132168370

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride (CID 53416421) is 2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride is Cl.NC(CO)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride?
The InChIKey is HIRRLLQTXSVEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(7)1-8;/h2,8H,1,7H2;1H.
What are the key properties of 2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride?
2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride has a molecular weight of 165.54 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 53416421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).