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

C6H11ClF3NO — CID 138987447

IUPAC2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride
SMILESCl.NC(CO)(C1CC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(10,3-11)4-1-2-4;/h4,11H,1-3,10H2;1H
InChIKeyKPBUPKGZOVZPLN-UHFFFAOYSA-N
MW205.61 g/mol
LogP1.07
Rot. Bonds2

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

2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride (PubChem CID 138987447) has the molecular formula C6H11ClF3NO and a molecular weight of 205.61 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride
PubChem CID138987447
Molecular FormulaC6H11ClF3NO
Molecular Weight205.61 g/mol
Exact Mass205.05
IUPAC Name2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride
SMILESCl.NC(CO)(C1CC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(10,3-11)4-1-2-4;/h4,11H,1-3,10H2;1H
InChIKeyKPBUPKGZOVZPLN-UHFFFAOYSA-N
XLogP1.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.61
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-2-cyclopropylpropan-1-ol
CID 61054420
2-Amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 64805114
2-Amino-2-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-ol
CID 82009682
[(1R,2R,3R)-1-amino-2-methyl-3-(trifluoromethyl)cyclopropyl]methanol
CID 121605582
2-Amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol
CID 131591979
2-Amino-5,5,5-trifluoro-2-methylpentan-1-ol
CID 165632766
2-Amino-4,4-difluoro-2-methylpentan-1-ol
CID 165781624
[1-Amino-2-(difluoromethyl)cyclopropyl]methanol
CID 170602819
[(1S,2R)-1-amino-2-(difluoromethyl)cyclopropyl]methanol
CID 175964821
[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol;hydrochloride
CID 178200325
[(1R,2R)-1-amino-2-(trifluoromethyl)cyclopropyl]methanol
CID 178200326
((1S,2S)-1-Amino-2-(trifluoromethyl)cyclopropyl)methanol hydrochloride
CID 178343719

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride?
The IUPAC name of 2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride (CID 138987447) is 2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride is Cl.NC(CO)(C1CC1)C(F)(F)F.
What is the InChIKey of 2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride?
The InChIKey is KPBUPKGZOVZPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.ClH/c7-6(8,9)5(10,3-11)4-1-2-4;/h4,11H,1-3,10H2;1H.
What are the key properties of 2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride?
2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride has a molecular weight of 205.61 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 138987447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).