(1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol

C6H11F2NO2 — CID 14503156

IUPAC(1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol
SMILESN[C@@H]1C[C@H](CO)[C@@H](O)C1(F)F
InChIInChI=1S/C6H11F2NO2/c7-6(8)4(9)1-3(2-10)5(6)11/h3-5,10-11H,1-2,9H2/t3-,4-,5-/m1/s1
InChIKeyPFFYVJMNDMLRHP-UOWFLXDJSA-N
MW167.15 g/mol
LogP-0.68
Rot. Bonds1

About (1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol

(1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 14503156) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is (1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol
PubChem CID14503156
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name(1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol
SMILESN[C@@H]1C[C@H](CO)[C@@H](O)C1(F)F
InChIInChI=1S/C6H11F2NO2/c7-6(8)4(9)1-3(2-10)5(6)11/h3-5,10-11H,1-2,9H2/t3-,4-,5-/m1/s1
InChIKeyPFFYVJMNDMLRHP-UOWFLXDJSA-N
XLogP-0.68
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol (CID 14503156) is (1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol is N[C@@H]1C[C@H](CO)[C@@H](O)C1(F)F.
What is the InChIKey of (1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is PFFYVJMNDMLRHP-UOWFLXDJSA-N. The full InChI is InChI=1S/C6H11F2NO2/c7-6(8)4(9)1-3(2-10)5(6)11/h3-5,10-11H,1-2,9H2/t3-,4-,5-/m1/s1.
What are the key properties of (1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol?
(1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 167.15 g/mol, XLogP of -0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-3-amino-2,2-difluoro-5-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 14503156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).