[(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid

C8H13F2NO3 — CID 139529910

IUPAC[(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid
SMILESO=C(O)N[C@@H]1CC[C@@H](OCC(F)F)C1
InChIInChI=1S/C8H13F2NO3/c9-7(10)4-14-6-2-1-5(3-6)11-8(12)13/h5-7,11H,1-4H2,(H,12,13)/t5-,6-/m1/s1
InChIKeyIJHRTAWHXNSVNR-PHDIDXHHSA-N
MW209.19 g/mol
LogP1.46
Rot. Bonds4

About [(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid

[(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid (PubChem CID 139529910) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is [(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid
PubChem CID139529910
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name[(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid
SMILESO=C(O)N[C@@H]1CC[C@@H](OCC(F)F)C1
InChIInChI=1S/C8H13F2NO3/c9-7(10)4-14-6-2-1-5(3-6)11-8(12)13/h5-7,11H,1-4H2,(H,12,13)/t5-,6-/m1/s1
InChIKeyIJHRTAWHXNSVNR-PHDIDXHHSA-N
XLogP1.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid?
The IUPAC name of [(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid (CID 139529910) is [(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid.
What is the SMILES notation for [(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid?
The canonical SMILES for [(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid is O=C(O)N[C@@H]1CC[C@@H](OCC(F)F)C1.
What is the InChIKey of [(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid?
The InChIKey is IJHRTAWHXNSVNR-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H13F2NO3/c9-7(10)4-14-6-2-1-5(3-6)11-8(12)13/h5-7,11H,1-4H2,(H,12,13)/t5-,6-/m1/s1.
What are the key properties of [(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid?
[(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid has a molecular weight of 209.19 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid is sourced from PubChem (CID 139529910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).