2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride

C5H11ClF3NO — CID 55254150

IUPAC2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride
SMILESCl.NC(CO)CCC(F)(F)F
InChIInChI=1S/C5H10F3NO.ClH/c6-5(7,8)2-1-4(9)3-10;/h4,10H,1-3,9H2;1H
InChIKeyPLRRQGUWDGASAP-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.07
Rot. Bonds3

About 2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride

2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride (PubChem CID 55254150) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is 2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride
PubChem CID55254150
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride
SMILESCl.NC(CO)CCC(F)(F)F
InChIInChI=1S/C5H10F3NO.ClH/c6-5(7,8)2-1-4(9)3-10;/h4,10H,1-3,9H2;1H
InChIKeyPLRRQGUWDGASAP-UHFFFAOYSA-N
XLogP1.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.60
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3-difluoropropan-1-ol hydrochloride
CID 127264163
2-Amino-4,4,4-trifluorobutan-1-ol hydrochloride
CID 53416432
3-Amino-4,4,4-trifluorobutan-1-ol hydrochloride
CID 73018179
(2S)-2-amino-4,4,4-trifluorobutan-1-ol
CID 86669707
2-Amino-3,3-difluoropropan-1-ol hydrochloride
CID 134820976
3-Amino-1,1-difluoropentan-2-ol hydrochloride
CID 121552371
2-Amino-4,4-difluoropentan-1-ol hydrochloride
CID 139022762
(2R)-2-amino-5,5-difluoropentan-1-ol hydrochloride
CID 165986869
(2S)-2-amino-5,5-difluoropentan-1-ol hydrochloride
CID 165990692
1-Amino-5,5,5-trifluoropentan-2-ol hydrochloride
CID 167715338
2-Amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol
CID 9834465
3-Amino-1,1,1-trifluoropentan-2-ol
CID 10725607

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride?
The IUPAC name of 2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride (CID 55254150) is 2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride is Cl.NC(CO)CCC(F)(F)F.
What is the InChIKey of 2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride?
The InChIKey is PLRRQGUWDGASAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c6-5(7,8)2-1-4(9)3-10;/h4,10H,1-3,9H2;1H.
What are the key properties of 2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride?
2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5,5-trifluoropentan-1-ol;hydrochloride is sourced from PubChem (CID 55254150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).