[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate

C15H17F2NO3 — CID 67048941

IUPAC[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate
SMILESNC(=O)OC[C@H]([C@@H]1C=CCO1)C(F)(F)Cc1ccccc1
InChIInChI=1S/C15H17F2NO3/c16-15(17,9-11-5-2-1-3-6-11)12(10-21-14(18)19)13-7-4-8-20-13/h1-7,12-13H,8-10H2,(H2,18,19)/t12-,13+/m1/s1
InChIKeyXCBSNSFSUYAZIG-OLZOCXBDSA-N
MW297.30 g/mol
LogP2.53
Rot. Bonds6

About [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate

[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate (PubChem CID 67048941) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate.

Molecular Properties

Compound Name[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate
PubChem CID67048941
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate
SMILESNC(=O)OC[C@H]([C@@H]1C=CCO1)C(F)(F)Cc1ccccc1
InChIInChI=1S/C15H17F2NO3/c16-15(17,9-11-5-2-1-3-6-11)12(10-21-14(18)19)13-7-4-8-20-13/h1-7,12-13H,8-10H2,(H2,18,19)/t12-,13+/m1/s1
InChIKeyXCBSNSFSUYAZIG-OLZOCXBDSA-N
XLogP2.53
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate?
The IUPAC name of [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate (CID 67048941) is [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate.
What is the SMILES notation for [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate?
The canonical SMILES for [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate is NC(=O)OC[C@H]([C@@H]1C=CCO1)C(F)(F)Cc1ccccc1.
What is the InChIKey of [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate?
The InChIKey is XCBSNSFSUYAZIG-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-15(17,9-11-5-2-1-3-6-11)12(10-21-14(18)19)13-7-4-8-20-13/h1-7,12-13H,8-10H2,(H2,18,19)/t12-,13+/m1/s1.
What are the key properties of [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate?
[(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate has a molecular weight of 297.30 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoro-4-phenylbutyl] carbamate is sourced from PubChem (CID 67048941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).