trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid

C8H12F5NO3 — CID 162304841

IUPACtrans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid
SMILESN[C@@H]1[C@H](O)CCCC1(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11F2NO.C2HF3O2/c7-6(8)3-1-2-4(10)5(6)9;3-2(4,5)1(6)7/h4-5,10H,1-3,9H2;(H,6,7)/t4-,5-;/m1./s1
InChIKeyZUKUBTQPAWVXMK-TYSVMGFPSA-N
MW265.18 g/mol
LogP1.13
Rot. Bonds

About trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid

trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid (PubChem CID 162304841) has the molecular formula C8H12F5NO3 and a molecular weight of 265.18 g/mol. Its IUPAC name is trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid
PubChem CID162304841
Molecular FormulaC8H12F5NO3
Molecular Weight265.18 g/mol
Exact Mass265.07
IUPAC Nametrans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid
SMILESN[C@@H]1[C@H](O)CCCC1(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H11F2NO.C2HF3O2/c7-6(8)3-1-2-4(10)5(6)9;3-2(4,5)1(6)7/h4-5,10H,1-3,9H2;(H,6,7)/t4-,5-;/m1./s1
InChIKeyZUKUBTQPAWVXMK-TYSVMGFPSA-N
XLogP1.13
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid (CID 162304841) is trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid is N[C@@H]1[C@H](O)CCCC1(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid?
The InChIKey is ZUKUBTQPAWVXMK-TYSVMGFPSA-N. The full InChI is InChI=1S/C6H11F2NO.C2HF3O2/c7-6(8)3-1-2-4(10)5(6)9;3-2(4,5)1(6)7/h4-5,10H,1-3,9H2;(H,6,7)/t4-,5-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid?
trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid has a molecular weight of 265.18 g/mol, XLogP of 1.13, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162304841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).