benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate

C15H18FNO3 — CID 87402353

IUPACbenzyl N-(1-carbonofluoridoylcyclohexyl)carbamate
SMILESO=C(NC1(C(=O)F)CCCCC1)OCc1ccccc1
InChIInChI=1S/C15H18FNO3/c16-13(18)15(9-5-2-6-10-15)17-14(19)20-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,17,19)
InChIKeyQYRWOMIIYWPLQA-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.11
Rot. Bonds4

About benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate

benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate (PubChem CID 87402353) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-carbonofluoridoylcyclohexyl)carbamate
PubChem CID87402353
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Namebenzyl N-(1-carbonofluoridoylcyclohexyl)carbamate
SMILESO=C(NC1(C(=O)F)CCCCC1)OCc1ccccc1
InChIInChI=1S/C15H18FNO3/c16-13(18)15(9-5-2-6-10-15)17-14(19)20-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,17,19)
InChIKeyQYRWOMIIYWPLQA-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 2755911
Cbz-L-Phenylalaninal
CID 7021150
benzyl N-[1-(cyanomethylcarbamoyl)cyclohexyl]carbamate
CID 11602113
((S)-1-Formyl-pentyl)-carbamic acid benzyl ester
CID 13820370
1-(Benzyloxycarbonylamino)-cyclobutyl-1-carboxylic acid
CID 1512648
(3R)-3-{[(Benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium
CID 21158904
benzyl N-[1-(2-oxoethylcarbamoyl)cyclohexyl]carbamate
CID 90665735
Benzyl trans-N-(-4-carbamoylcyclohexyl)carbamate
CID 657544
Benzyl 6-oxohexylcarbamate
CID 11391023
Benzyl (4-oxocyclohexyl)carbamate
CID 14615292
CID 1715625
CID 1715625
benzyl N-[(2S)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 10924466

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate?
The IUPAC name of benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate (CID 87402353) is benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate.
What is the SMILES notation for benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate?
The canonical SMILES for benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate is O=C(NC1(C(=O)F)CCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate?
The InChIKey is QYRWOMIIYWPLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-13(18)15(9-5-2-6-10-15)17-14(19)20-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,17,19).
What are the key properties of benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate?
benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate has a molecular weight of 279.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-carbonofluoridoylcyclohexyl)carbamate is sourced from PubChem (CID 87402353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).