N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine

C9H16FNO — CID 126847853

IUPACN-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine
SMILESF[C@@H]1CCC[C@H]1NC1CCOC1
InChIInChI=1S/C9H16FNO/c10-8-2-1-3-9(8)11-7-4-5-12-6-7/h7-9,11H,1-6H2/t7?,8-,9-/m1/s1
InChIKeyLLXMLZQSDBVGJD-CFCGPWAMSA-N
MW173.23 g/mol
LogP1.26
Rot. Bonds2

About N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine

N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine (PubChem CID 126847853) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine
PubChem CID126847853
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine
SMILESF[C@@H]1CCC[C@H]1NC1CCOC1
InChIInChI=1S/C9H16FNO/c10-8-2-1-3-9(8)11-7-4-5-12-6-7/h7-9,11H,1-6H2/t7?,8-,9-/m1/s1
InChIKeyLLXMLZQSDBVGJD-CFCGPWAMSA-N
XLogP1.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine?
The IUPAC name of N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine (CID 126847853) is N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine is F[C@@H]1CCC[C@H]1NC1CCOC1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine?
The InChIKey is LLXMLZQSDBVGJD-CFCGPWAMSA-N. The full InChI is InChI=1S/C9H16FNO/c10-8-2-1-3-9(8)11-7-4-5-12-6-7/h7-9,11H,1-6H2/t7?,8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine?
N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine has a molecular weight of 173.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclopentyl]oxolan-3-amine is sourced from PubChem (CID 126847853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).