tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C13H24FNO4 — CID 86617884

IUPACtert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCF)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24FNO4/c1-12(2,3)18-10(16)15(9-7-8-14)11(17)19-13(4,5)6/h7-9H2,1-6H3
InChIKeyJNXVWIMBLSYAFZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.52
Rot. Bonds3

About tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 86617884) has the molecular formula C13H24FNO4 and a molecular weight of 277.34 g/mol. Its IUPAC name is tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID86617884
Molecular FormulaC13H24FNO4
Molecular Weight277.34 g/mol
Exact Mass277.17
IUPAC Nametert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCF)C(=O)OC(C)(C)C
InChIInChI=1S/C13H24FNO4/c1-12(2,3)18-10(16)15(9-7-8-14)11(17)19-13(4,5)6/h7-9H2,1-6H3
InChIKeyJNXVWIMBLSYAFZ-UHFFFAOYSA-N
XLogP3.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55271007
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tert-butyl N-(2-fluoroprop-2-enyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
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tert-butyl N,N-bis(3,3-difluoropropyl)carbamate
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tert-butyl N-methyl-N-(2-methylpropyl)carbamate
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tert-Butyl diethylcarbamate
CID 13314074
tert-Butyl ethyl(methyl)carbamate
CID 14271611
tert-butyl N-methyl-N-propylcarbamate
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tert-butyl N-butan-2-yl-N-methylcarbamate
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CID 18005800

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 86617884) is tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(CCCF)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is JNXVWIMBLSYAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO4/c1-12(2,3)18-10(16)15(9-7-8-14)11(17)19-13(4,5)6/h7-9H2,1-6H3.
What are the key properties of tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 277.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-fluoropropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 86617884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).