(2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine

C11H19F2NO — CID 162542424

IUPAC(2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine
SMILESC[C@@]1(C[C@@H](N)C[C@H]2CCC(F)(F)C2)CO1
InChIInChI=1S/C11H19F2NO/c1-10(7-15-10)6-9(14)4-8-2-3-11(12,13)5-8/h8-9H,2-7,14H2,1H3/t8-,9+,10-/m1/s1
InChIKeyBDKDHUBDXILIMI-KXUCPTDWSA-N
MW219.27 g/mol
LogP2.32
Rot. Bonds4

About (2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine

(2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine (PubChem CID 162542424) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is (2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine
PubChem CID162542424
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name(2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine
SMILESC[C@@]1(C[C@@H](N)C[C@H]2CCC(F)(F)C2)CO1
InChIInChI=1S/C11H19F2NO/c1-10(7-15-10)6-9(14)4-8-2-3-11(12,13)5-8/h8-9H,2-7,14H2,1H3/t8-,9+,10-/m1/s1
InChIKeyBDKDHUBDXILIMI-KXUCPTDWSA-N
XLogP2.32
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine?
The IUPAC name of (2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine (CID 162542424) is (2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine.
What is the SMILES notation for (2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine?
The canonical SMILES for (2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine is C[C@@]1(C[C@@H](N)C[C@H]2CCC(F)(F)C2)CO1.
What is the InChIKey of (2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine?
The InChIKey is BDKDHUBDXILIMI-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-10(7-15-10)6-9(14)4-8-2-3-11(12,13)5-8/h8-9H,2-7,14H2,1H3/t8-,9+,10-/m1/s1.
What are the key properties of (2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine?
(2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine has a molecular weight of 219.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-3,3-difluorocyclopentyl]-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine is sourced from PubChem (CID 162542424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).