tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate

C15H19ClFNO2 — CID 66982991

IUPACtert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(=C\F)Cc1cccc(Cl)c1
InChIInChI=1S/C15H19ClFNO2/c1-15(2,3)20-14(19)18-10-12(9-17)7-11-5-4-6-13(16)8-11/h4-6,8-9H,7,10H2,1-3H3,(H,18,19)/b12-9-
InChIKeyDCYCZLAEQFNLEE-XFXZXTDPSA-N
MW299.77 g/mol
LogP4.26
Rot. Bonds4

About tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate

tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate (PubChem CID 66982991) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate
PubChem CID66982991
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Nametert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C(=C\F)Cc1cccc(Cl)c1
InChIInChI=1S/C15H19ClFNO2/c1-15(2,3)20-14(19)18-10-12(9-17)7-11-5-4-6-13(16)8-11/h4-6,8-9H,7,10H2,1-3H3,(H,18,19)/b12-9-
InChIKeyDCYCZLAEQFNLEE-XFXZXTDPSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate (CID 66982991) is tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C(=C\F)Cc1cccc(Cl)c1.
What is the InChIKey of tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate?
The InChIKey is DCYCZLAEQFNLEE-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-15(2,3)20-14(19)18-10-12(9-17)7-11-5-4-6-13(16)8-11/h4-6,8-9H,7,10H2,1-3H3,(H,18,19)/b12-9-.
What are the key properties of tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate?
tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate has a molecular weight of 299.77 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2-[(3-chlorophenyl)methyl]-3-fluoroprop-2-enyl]carbamate is sourced from PubChem (CID 66982991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).