[(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate

C15H17F2NO3 — CID 67048940

IUPAC[(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate
SMILESNC(=O)OC(Cc1ccccc1)[C@@H](C(F)F)[C@@H]1C=CCO1
InChIInChI=1S/C15H17F2NO3/c16-14(17)13(11-7-4-8-20-11)12(21-15(18)19)9-10-5-2-1-3-6-10/h1-7,11-14H,8-9H2,(H2,18,19)/t11-,12?,13-/m0/s1
InChIKeyRFTAHARZTZZCDH-RXTYADHFSA-N
MW297.30 g/mol
LogP2.53
Rot. Bonds6

About [(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate

[(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate (PubChem CID 67048940) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is [(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate
PubChem CID67048940
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name[(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate
SMILESNC(=O)OC(Cc1ccccc1)[C@@H](C(F)F)[C@@H]1C=CCO1
InChIInChI=1S/C15H17F2NO3/c16-14(17)13(11-7-4-8-20-11)12(21-15(18)19)9-10-5-2-1-3-6-10/h1-7,11-14H,8-9H2,(H2,18,19)/t11-,12?,13-/m0/s1
InChIKeyRFTAHARZTZZCDH-RXTYADHFSA-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 [(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate?
The IUPAC name of [(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate (CID 67048940) is [(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate.
What is the SMILES notation for [(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate?
The canonical SMILES for [(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate is NC(=O)OC(Cc1ccccc1)[C@@H](C(F)F)[C@@H]1C=CCO1.
What is the InChIKey of [(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate?
The InChIKey is RFTAHARZTZZCDH-RXTYADHFSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-14(17)13(11-7-4-8-20-11)12(21-15(18)19)9-10-5-2-1-3-6-10/h1-7,11-14H,8-9H2,(H2,18,19)/t11-,12?,13-/m0/s1.
What are the key properties of [(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate?
[(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] 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 [(3R)-3-[(2S)-2,5-dihydrofuran-2-yl]-4,4-difluoro-1-phenylbutan-2-yl] carbamate is sourced from PubChem (CID 67048940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).