(4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate

C16H24FNO2 — CID 171732925

IUPAC(4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate
SMILESCC(C)(C)C(NC(=O)Oc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C16H24FNO2/c1-15(2,3)13(16(4,5)6)18-14(19)20-12-9-7-11(17)8-10-12/h7-10,13H,1-6H3,(H,18,19)
InChIKeyAZOIOYPSONMQST-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.37
Rot. Bonds2

About (4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate

(4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate (PubChem CID 171732925) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate.

Molecular Properties

Compound Name(4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate
PubChem CID171732925
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate
SMILESCC(C)(C)C(NC(=O)Oc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C16H24FNO2/c1-15(2,3)13(16(4,5)6)18-14(19)20-12-9-7-11(17)8-10-12/h7-10,13H,1-6H3,(H,18,19)
InChIKeyAZOIOYPSONMQST-UHFFFAOYSA-N
XLogP4.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (4-fluorophenyl) carbonate
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(4-acetylphenyl) (2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
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(2R)-3-(4-fluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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CID 103926387

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate?
The IUPAC name of (4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate (CID 171732925) is (4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate.
What is the SMILES notation for (4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate?
The canonical SMILES for (4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate is CC(C)(C)C(NC(=O)Oc1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of (4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate?
The InChIKey is AZOIOYPSONMQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-15(2,3)13(16(4,5)6)18-14(19)20-12-9-7-11(17)8-10-12/h7-10,13H,1-6H3,(H,18,19).
What are the key properties of (4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate?
(4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate has a molecular weight of 281.37 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) N-(2,2,4,4-tetramethylpentan-3-yl)carbamate is sourced from PubChem (CID 171732925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).