2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate

C14H26FNO2 — CID 58331838

IUPAC2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(NC(=O)OCCF)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H26FNO2/c1-10(13(2,3)4)11(14(5,6)7)16-12(17)18-9-8-15/h11H,1,8-9H2,2-7H3,(H,16,17)
InChIKeyUCKQEZFBOKIFGU-UHFFFAOYSA-N
MW259.36 g/mol
LogP3.70
Rot. Bonds4

About 2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate

2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate (PubChem CID 58331838) has the molecular formula C14H26FNO2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
PubChem CID58331838
Molecular FormulaC14H26FNO2
Molecular Weight259.36 g/mol
Exact Mass259.19
IUPAC Name2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(NC(=O)OCCF)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H26FNO2/c1-10(13(2,3)4)11(14(5,6)7)16-12(17)18-9-8-15/h11H,1,8-9H2,2-7H3,(H,16,17)
InChIKeyUCKQEZFBOKIFGU-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
The IUPAC name of 2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate (CID 58331838) is 2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate.
What is the SMILES notation for 2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
The canonical SMILES for 2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate is C=C(C(NC(=O)OCCF)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
The InChIKey is UCKQEZFBOKIFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO2/c1-10(13(2,3)4)11(14(5,6)7)16-12(17)18-9-8-15/h11H,1,8-9H2,2-7H3,(H,16,17).
What are the key properties of 2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate?
2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate has a molecular weight of 259.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-(2,2,5,5-tetramethyl-4-methylidenehexan-3-yl)carbamate is sourced from PubChem (CID 58331838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).