benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid

C15H17F2NO3 — CID 67049065

IUPACbenzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid
SMILESO=C(O)N(Cc1ccccc1)C[C@H](C(F)F)[C@@H]1C=CCO1
InChIInChI=1S/C15H17F2NO3/c16-14(17)12(13-7-4-8-21-13)10-18(15(19)20)9-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2,(H,19,20)/t12-,13-/m0/s1
InChIKeyGECOBRGZBQFXRC-STQMWFEESA-N
MW297.30 g/mol
LogP3.00
Rot. Bonds6

About benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid

benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid (PubChem CID 67049065) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid
PubChem CID67049065
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Namebenzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid
SMILESO=C(O)N(Cc1ccccc1)C[C@H](C(F)F)[C@@H]1C=CCO1
InChIInChI=1S/C15H17F2NO3/c16-14(17)12(13-7-4-8-21-13)10-18(15(19)20)9-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2,(H,19,20)/t12-,13-/m0/s1
InChIKeyGECOBRGZBQFXRC-STQMWFEESA-N
XLogP3.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl(cyclopropylmethyl)carbamic acid
CID 68617171
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
benzyl-(2-bromo-2-methoxyethyl)carbamic acid
CID 68692716
4-[benzyl(2,2-difluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673939
[(2S)-2-aminopropyl]-benzylcarbamic acid;2,2,2-trifluoroacetic acid
CID 138610897
N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride
CID 119807977
N,N,N',N'-tetrabenzyl-2,5-dihydroxyhexanediamide
CID 57055872
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
(3-bromophenyl)methyl-(oxiran-2-ylmethyl)carbamic acid
CID 87093261
N,N-dibenzyl-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide
CID 71023643
N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 103515233
N-benzyl-N-(2,2-difluoroethyl)-2-(methylamino)acetamide
CID 119807964

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid?
The IUPAC name of benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid (CID 67049065) is benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid.
What is the SMILES notation for benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid?
The canonical SMILES for benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid is O=C(O)N(Cc1ccccc1)C[C@H](C(F)F)[C@@H]1C=CCO1.
What is the InChIKey of benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid?
The InChIKey is GECOBRGZBQFXRC-STQMWFEESA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-14(17)12(13-7-4-8-21-13)10-18(15(19)20)9-11-5-2-1-3-6-11/h1-7,12-14H,8-10H2,(H,19,20)/t12-,13-/m0/s1.
What are the key properties of benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid?
benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid has a molecular weight of 297.30 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2S)-2-[(2S)-2,5-dihydrofuran-2-yl]-3,3-difluoropropyl]carbamic acid is sourced from PubChem (CID 67049065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).