2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate

C12H14F2N2O4 — CID 121003503

IUPAC2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
SMILESO=C(Nc1ccc(NC(=O)OCCF)cc1)OCCF
InChIInChI=1S/C12H14F2N2O4/c13-5-7-19-11(17)15-9-1-2-10(4-3-9)16-12(18)20-8-6-14/h1-4H,5-8H2,(H,15,17)(H,16,18)
InChIKeyHBQXLEMRSJXOIY-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.72
Rot. Bonds6

About 2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate

2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate (PubChem CID 121003503) has the molecular formula C12H14F2N2O4 and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate.

Molecular Properties

Compound Name2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
PubChem CID121003503
Molecular FormulaC12H14F2N2O4
Molecular Weight288.25 g/mol
Exact Mass288.09
IUPAC Name2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
SMILESO=C(Nc1ccc(NC(=O)OCCF)cc1)OCCF
InChIInChI=1S/C12H14F2N2O4/c13-5-7-19-11(17)15-9-1-2-10(4-3-9)16-12(18)20-8-6-14/h1-4H,5-8H2,(H,15,17)(H,16,18)
InChIKeyHBQXLEMRSJXOIY-UHFFFAOYSA-N
XLogP2.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoroethyl N-(4-nitrophenyl)carbamate
CID 86209590
2-fluoroethyl N-(3,5-dimethoxyphenyl)carbamate
CID 13298348
2-hydroxyethyl N-[4-(propanoylamino)phenyl]carbamate
CID 79346307
2-hydroxyethyl N-(4-cyanophenyl)carbamate
CID 79345947
methyl 4-(2-hydroxyethoxycarbonylamino)benzoate
CID 79346274
2-fluoroethyl N-(2-methylphenyl)carbamate
CID 86208928
2-hydroxyethyl N-[4-(methylcarbamoyl)phenyl]carbamate
CID 79345758
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
2-bromoethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 103970519
2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 170966813
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate?
The IUPAC name of 2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate (CID 121003503) is 2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate.
What is the SMILES notation for 2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate?
The canonical SMILES for 2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate is O=C(Nc1ccc(NC(=O)OCCF)cc1)OCCF.
What is the InChIKey of 2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate?
The InChIKey is HBQXLEMRSJXOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4/c13-5-7-19-11(17)15-9-1-2-10(4-3-9)16-12(18)20-8-6-14/h1-4H,5-8H2,(H,15,17)(H,16,18).
What are the key properties of 2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate?
2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate has a molecular weight of 288.25 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate is sourced from PubChem (CID 121003503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).