(3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine

C12H16FNO — CID 95379249

IUPAC(3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine
SMILESFc1ccccc1CCN[C@H]1CCOC1
InChIInChI=1S/C12H16FNO/c13-12-4-2-1-3-10(12)5-7-14-11-6-8-15-9-11/h1-4,11,14H,5-9H2/t11-/m0/s1
InChIKeyVPVDPDBKRFQWMX-NSHDSACASA-N
MW209.26 g/mol
LogP1.75
Rot. Bonds4

About (3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine

(3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine (PubChem CID 95379249) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine
PubChem CID95379249
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine
SMILESFc1ccccc1CCN[C@H]1CCOC1
InChIInChI=1S/C12H16FNO/c13-12-4-2-1-3-10(12)5-7-14-11-6-8-15-9-11/h1-4,11,14H,5-9H2/t11-/m0/s1
InChIKeyVPVDPDBKRFQWMX-NSHDSACASA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine (CID 95379249) is (3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine is Fc1ccccc1CCN[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine?
The InChIKey is VPVDPDBKRFQWMX-NSHDSACASA-N. The full InChI is InChI=1S/C12H16FNO/c13-12-4-2-1-3-10(12)5-7-14-11-6-8-15-9-11/h1-4,11,14H,5-9H2/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine?
(3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine has a molecular weight of 209.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2-fluorophenyl)ethyl]oxolan-3-amine is sourced from PubChem (CID 95379249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).