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

C5H11ClF3NO — CID 122604013

IUPAC1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride
SMILESCl.NC(O)CCCC(F)(F)F
InChIInChI=1S/C5H10F3NO.ClH/c6-5(7,8)3-1-2-4(9)10;/h4,10H,1-3,9H2;1H
InChIKeyYKYXTRWGOARDHO-UHFFFAOYSA-N
MW193.60 g/mol
LogP1.42
Rot. Bonds3

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

1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride (PubChem CID 122604013) has the molecular formula C5H11ClF3NO and a molecular weight of 193.60 g/mol. Its IUPAC name is 1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride
PubChem CID122604013
Molecular FormulaC5H11ClF3NO
Molecular Weight193.60 g/mol
Exact Mass193.05
IUPAC Name1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride
SMILESCl.NC(O)CCCC(F)(F)F
InChIInChI=1S/C5H10F3NO.ClH/c6-5(7,8)3-1-2-4(9)10;/h4,10H,1-3,9H2;1H
InChIKeyYKYXTRWGOARDHO-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
1-Amino-5,5,5-trifluoropentan-2-OL
CID 53415823
2-Amino-5,5,5-trifluoropentan-1-ol hydrochloride
CID 55254150
2-Amino-5,5,5-trifluoropentan-1-ol
CID 55254151
5-Amino-1,1,1-trifluoropentan-2-ol
CID 82415956
6-Amino-1,1,1-trifluorohexan-2-ol
CID 84731899
6-Amino-3,3,4,4-tetrafluorohexan-1-ol
CID 87063820
5-Amino-3,3-difluoropentan-1-ol
CID 117730738
(1R)-1-amino-6-fluorohexan-1-ol
CID 122643692

Frequently Asked Questions

What is the IUPAC name of 1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride?
The IUPAC name of 1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride (CID 122604013) is 1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride.
What is the SMILES notation for 1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride?
The canonical SMILES for 1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride is Cl.NC(O)CCCC(F)(F)F.
What is the InChIKey of 1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride?
The InChIKey is YKYXTRWGOARDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO.ClH/c6-5(7,8)3-1-2-4(9)10;/h4,10H,1-3,9H2;1H.
What are the key properties of 1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride?
1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride has a molecular weight of 193.60 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5,5,5-trifluoropentan-1-ol;hydrochloride is sourced from PubChem (CID 122604013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).