[(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid

C7H11F2NO3 — CID 130194709

IUPAC[(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid
SMILESO=C(O)N[C@H]1CCC[C@@H]1OC(F)F
InChIInChI=1S/C7H11F2NO3/c8-6(9)13-5-3-1-2-4(5)10-7(11)12/h4-6,10H,1-3H2,(H,11,12)/t4-,5-/m0/s1
InChIKeyRJXDCBRZFPXFLM-WHFBIAKZSA-N
MW195.16 g/mol
LogP1.41
Rot. Bonds3

About [(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid

[(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid (PubChem CID 130194709) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is [(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid
PubChem CID130194709
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name[(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid
SMILESO=C(O)N[C@H]1CCC[C@@H]1OC(F)F
InChIInChI=1S/C7H11F2NO3/c8-6(9)13-5-3-1-2-4(5)10-7(11)12/h4-6,10H,1-3H2,(H,11,12)/t4-,5-/m0/s1
InChIKeyRJXDCBRZFPXFLM-WHFBIAKZSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid?
The IUPAC name of [(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid (CID 130194709) is [(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid.
What is the SMILES notation for [(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid?
The canonical SMILES for [(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid is O=C(O)N[C@H]1CCC[C@@H]1OC(F)F.
What is the InChIKey of [(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid?
The InChIKey is RJXDCBRZFPXFLM-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H11F2NO3/c8-6(9)13-5-3-1-2-4(5)10-7(11)12/h4-6,10H,1-3H2,(H,11,12)/t4-,5-/m0/s1.
What are the key properties of [(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid?
[(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid has a molecular weight of 195.16 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(difluoromethoxy)cyclopentyl]carbamic acid is sourced from PubChem (CID 130194709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).