benzyl carbamate;tert-butyl 3-fluoropropanoate

C15H22FNO4 — CID 142900650

IUPACbenzyl carbamate;tert-butyl 3-fluoropropanoate
SMILESCC(C)(C)OC(=O)CCF.NC(=O)OCc1ccccc1
InChIInChI=1S/C8H9NO2.C7H13FO2/c9-8(10)11-6-7-4-2-1-3-5-7;1-7(2,3)10-6(9)4-5-8/h1-5H,6H2,(H2,9,10);4-5H2,1-3H3
InChIKeyGSYDFPRPGRADHH-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.97
Rot. Bonds4

About benzyl carbamate;tert-butyl 3-fluoropropanoate

benzyl carbamate;tert-butyl 3-fluoropropanoate (PubChem CID 142900650) has the molecular formula C15H22FNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is benzyl carbamate;tert-butyl 3-fluoropropanoate.

Molecular Properties

Compound Namebenzyl carbamate;tert-butyl 3-fluoropropanoate
PubChem CID142900650
Molecular FormulaC15H22FNO4
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Namebenzyl carbamate;tert-butyl 3-fluoropropanoate
SMILESCC(C)(C)OC(=O)CCF.NC(=O)OCc1ccccc1
InChIInChI=1S/C8H9NO2.C7H13FO2/c9-8(10)11-6-7-4-2-1-3-5-7;1-7(2,3)10-6(9)4-5-8/h1-5H,6H2,(H2,9,10);4-5H2,1-3H3
InChIKeyGSYDFPRPGRADHH-UHFFFAOYSA-N
XLogP2.97
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl carbamate;tert-butyl carbamate;3-phenylpropanoic acid
CID 143560152
1-O,1-O-dibenzyl 3-O-tert-butyl propane-1,1,3-tricarboxylate
CID 11315892
1-O-benzyl 5-O-tert-butyl 2-aminopentanedioate;hydrochloride
CID 118797500
benzyl carbamate;heptahydrochloride
CID 141351835
1-O-benzyl 7-O-tert-butyl 2-aminoheptanedioate
CID 71052788
tert-butyl 5-(phenylmethoxycarbonylamino)pentanoate
CID 10638439
2,3-diamino-6-[(2-methylpropan-2-yl)oxy]-6-oxo-2-phenylmethoxycarbonylhexanoic acid
CID 174424737
4-O-benzyl 1-O-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl] butanedioate;1,1,1-trifluoropropan-2-one
CID 91201877
1-O-benzyl 4-O-tert-butyl 2-O-methyl (2R)-butane-1,2,4-tricarboxylate
CID 157475891
tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate
CID 14182511
5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate
CID 7022309
1-O-benzyl 5-O-tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 51349741

Frequently Asked Questions

What is the IUPAC name of benzyl carbamate;tert-butyl 3-fluoropropanoate?
The IUPAC name of benzyl carbamate;tert-butyl 3-fluoropropanoate (CID 142900650) is benzyl carbamate;tert-butyl 3-fluoropropanoate.
What is the SMILES notation for benzyl carbamate;tert-butyl 3-fluoropropanoate?
The canonical SMILES for benzyl carbamate;tert-butyl 3-fluoropropanoate is CC(C)(C)OC(=O)CCF.NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl carbamate;tert-butyl 3-fluoropropanoate?
The InChIKey is GSYDFPRPGRADHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C7H13FO2/c9-8(10)11-6-7-4-2-1-3-5-7;1-7(2,3)10-6(9)4-5-8/h1-5H,6H2,(H2,9,10);4-5H2,1-3H3.
What are the key properties of benzyl carbamate;tert-butyl 3-fluoropropanoate?
benzyl carbamate;tert-butyl 3-fluoropropanoate has a molecular weight of 299.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate;tert-butyl 3-fluoropropanoate is sourced from PubChem (CID 142900650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).