tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate

C14H16ClF2NO2 — CID 169468685

IUPACtert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1c(F)cc(Cl)cc1F
InChIInChI=1S/C14H16ClF2NO2/c1-14(2,3)20-13(19)18-6-4-5-10-11(16)7-9(15)8-12(10)17/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyOGEMHVBTXVDMGJ-UHFFFAOYSA-N
MW303.74 g/mol
LogP4.16
Rot. Bonds3

About tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate

tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate (PubChem CID 169468685) has the molecular formula C14H16ClF2NO2 and a molecular weight of 303.74 g/mol. Its IUPAC name is tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate
PubChem CID169468685
Molecular FormulaC14H16ClF2NO2
Molecular Weight303.74 g/mol
Exact Mass303.08
IUPAC Nametert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1c(F)cc(Cl)cc1F
InChIInChI=1S/C14H16ClF2NO2/c1-14(2,3)20-13(19)18-6-4-5-10-11(16)7-9(15)8-12(10)17/h4-5,7-8H,6H2,1-3H3,(H,18,19)
InChIKeyOGEMHVBTXVDMGJ-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.74
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-[2-[(4-chlorophenyl)methylideneamino]ethyl]carbamate
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Tert-butyl N-[2-(4-chlorophenyl)ethyl]carbamate
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tert-butyl N-[2-(2-chloro-4-fluorophenyl)ethyl]carbamate
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tert-butyl N-[(E)-2-(4-chlorophenyl)-3-fluoroprop-2-enyl]carbamate
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tert-Butyl [(1S)-1-(3-chlorophenyl)-2-fluoroethyl]carbamate
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tert-butyl 4-(4-chloro-2-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
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tert-butyl N-[2-(4-chlorophenyl)-3-fluoroprop-2-enyl]carbamate
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N-[3-(4-chlorophenyl)prop-2-enyl]-2,2,2-trifluoroacetamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate (CID 169468685) is tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1c(F)cc(Cl)cc1F.
What is the InChIKey of tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate?
The InChIKey is OGEMHVBTXVDMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2NO2/c1-14(2,3)20-13(19)18-6-4-5-10-11(16)7-9(15)8-12(10)17/h4-5,7-8H,6H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate has a molecular weight of 303.74 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169468685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).