benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate

C22H24FNO4 — CID 59226068

IUPACbenzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
SMILESO=C(NC1(c2ccc(F)cc2)CCC2(CC1)OCCO2)OCc1ccccc1
InChIInChI=1S/C22H24FNO4/c23-19-8-6-18(7-9-19)21(10-12-22(13-11-21)27-14-15-28-22)24-20(25)26-16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,24,25)
InChIKeyKSYMTOHYEAEMFV-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.26
Rot. Bonds4

About benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate

benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate (PubChem CID 59226068) has the molecular formula C22H24FNO4 and a molecular weight of 385.44 g/mol. Its IUPAC name is benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
PubChem CID59226068
Molecular FormulaC22H24FNO4
Molecular Weight385.44 g/mol
Exact Mass385.17
IUPAC Namebenzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
SMILESO=C(NC1(c2ccc(F)cc2)CCC2(CC1)OCCO2)OCc1ccccc1
InChIInChI=1S/C22H24FNO4/c23-19-8-6-18(7-9-19)21(10-12-22(13-11-21)27-14-15-28-22)24-20(25)26-16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,24,25)
InChIKeyKSYMTOHYEAEMFV-UHFFFAOYSA-N
XLogP4.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
CID 53216887
4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoic acid
CID 165466082
benzyl N-[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]cyclopropyl]carbamate
CID 90280235
benzyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2381331
benzyl N-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)carbamate
CID 90792459
ethyl 2,3,5-trifluoro-4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoate
CID 10363157
methyl (2S)-2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-(phenylmethoxycarbonylamino)acetate
CID 58911777
benzyl N-[(7R,8S)-8-amino-1,4-dioxaspiro[4.5]decan-7-yl]carbamate
CID 141094427
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
dibenzyl (1R,4R)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octane-1,4-dicarboxylate
CID 101205282
benzyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
CID 171107393
2-trimethylsilylethyl 1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 23252917

Frequently Asked Questions

What is the IUPAC name of benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate?
The IUPAC name of benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate (CID 59226068) is benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate.
What is the SMILES notation for benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate?
The canonical SMILES for benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate is O=C(NC1(c2ccc(F)cc2)CCC2(CC1)OCCO2)OCc1ccccc1.
What is the InChIKey of benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate?
The InChIKey is KSYMTOHYEAEMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO4/c23-19-8-6-18(7-9-19)21(10-12-22(13-11-21)27-14-15-28-22)24-20(25)26-16-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,24,25).
What are the key properties of benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate?
benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate has a molecular weight of 385.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-yl]carbamate is sourced from PubChem (CID 59226068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).