trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol

C6H10F3NO — CID 95241020

IUPACtrans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol
SMILESN[C@H]1CCC[C@]1(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(11)3-1-2-4(5)10/h4,11H,1-3,10H2/t4-,5+/m0/s1
InChIKeyZHXSHNYEYNFGGC-CRCLSJGQSA-N
MW169.15 g/mol
LogP0.79
Rot. Bonds

About trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol

trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol (PubChem CID 95241020) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol
PubChem CID95241020
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Nametrans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol
SMILESN[C@H]1CCC[C@]1(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(11)3-1-2-4(5)10/h4,11H,1-3,10H2/t4-,5+/m0/s1
InChIKeyZHXSHNYEYNFGGC-CRCLSJGQSA-N
XLogP0.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-methylcyclopentan-1-ol
CID 12418453
2-Amino-1-methylcyclopentan-1-ol; trifluoroacetic acid
CID 137838097
(1R,2R)-2-Amino-1-methylcyclopentan-1-ol
CID 53998829
trans-(1S,2R)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol
CID 95241019
2-Amino-1-(trifluoromethyl)cyclopentan-1-ol
CID 54594716
cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol
CID 95241018
cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol
CID 95241021
trans-(1S,2R)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol;hydrochloride
CID 170911809
rac-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol hydrochloride
CID 178200244
2-Amino-1-(trifluoromethyl)cyclopentan-1-OL hydrochloride
CID 178412219
2-Amino-1-methylcyclopentanol hydrochloride
CID 19818423
(1S,2S)-2-amino-1-methyl-cyclopentanol
CID 58525281

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol (CID 95241020) is trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol is N[C@H]1CCC[C@]1(O)C(F)(F)F.
What is the InChIKey of trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol?
The InChIKey is ZHXSHNYEYNFGGC-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5(11)3-1-2-4(5)10/h4,11H,1-3,10H2/t4-,5+/m0/s1.
What are the key properties of trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol?
trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol has a molecular weight of 169.15 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-amino-1-(trifluoromethyl)cyclopentan-1-ol is sourced from PubChem (CID 95241020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).