tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate

C15H26FNO2 — CID 86629086

IUPACtert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(=CCCCF)CC1
InChIInChI=1S/C15H26FNO2/c1-15(2,3)19-14(18)17-13-9-7-12(8-10-13)6-4-5-11-16/h6,13H,4-5,7-11H2,1-3H3,(H,17,18)/b12-6-
InChIKeySFXHHQPXZSKQGN-SDQBBNPISA-N
MW271.38 g/mol
LogP4.13
Rot. Bonds4

About tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate

tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate (PubChem CID 86629086) has the molecular formula C15H26FNO2 and a molecular weight of 271.38 g/mol. Its IUPAC name is tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate
PubChem CID86629086
Molecular FormulaC15H26FNO2
Molecular Weight271.38 g/mol
Exact Mass271.19
IUPAC Nametert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(=CCCCF)CC1
InChIInChI=1S/C15H26FNO2/c1-15(2,3)19-14(18)17-13-9-7-12(8-10-13)6-4-5-11-16/h6,13H,4-5,7-11H2,1-3H3,(H,17,18)/b12-6-
InChIKeySFXHHQPXZSKQGN-SDQBBNPISA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl cyclohex-3-enylcarbamate
CID 11063381
tert-Butyl (4-fluorocyclohex-3-en-1-yl)carbamate
CID 45092205
tert-Butyl cyclohex-2-en-1-ylcarbamate
CID 10012946
(R)-4-(Boc-amino)cyclohexene
CID 66696471
tert-butyl N-(2-cyclohexa-1,4-dien-1-ylethyl)carbamate
CID 155934190
tert-butyl N-[(2E)-5,5-difluoroocta-2,7-dien-4-yl]carbamate
CID 15021210
tert-butyl N-(5,5-difluoroocta-2,7-dien-4-yl)carbamate
CID 54542556
Tert-butyl ((4-fluorocyclohex-3-en-1-yl)methyl)carbamate
CID 57441094
[4-(4-Fluorobutylidene)cyclohexyl]carbamic acid
CID 68464304
tert-butyl N-[2-(trifluoromethyl)cyclopent-2-en-1-yl]carbamate
CID 123195771
tert-butyl N-(3,3-difluoro-5-methylhept-5-en-2-yl)carbamate
CID 123626510
tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate
CID 123740466

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate (CID 86629086) is tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(=CCCCF)CC1.
What is the InChIKey of tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate?
The InChIKey is SFXHHQPXZSKQGN-SDQBBNPISA-N. The full InChI is InChI=1S/C15H26FNO2/c1-15(2,3)19-14(18)17-13-9-7-12(8-10-13)6-4-5-11-16/h6,13H,4-5,7-11H2,1-3H3,(H,17,18)/b12-6-.
What are the key properties of tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate?
tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate has a molecular weight of 271.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-fluorobutylidene)cyclohexyl]carbamate is sourced from PubChem (CID 86629086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).