9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate

C22H18BrNO2S — CID 169470886

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1sccc1Br)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H18BrNO2S/c23-20-11-13-27-21(20)10-5-12-24-22(25)26-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-11,13,19H,12,14H2,(H,24,25)
InChIKeyBHYFWVXQYYOUML-UHFFFAOYSA-N
MW440.36 g/mol
LogP6.06
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate (PubChem CID 169470886) has the molecular formula C22H18BrNO2S and a molecular weight of 440.36 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate
PubChem CID169470886
Molecular FormulaC22H18BrNO2S
Molecular Weight440.36 g/mol
Exact Mass439.02
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1sccc1Br)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H18BrNO2S/c23-20-11-13-27-21(20)10-5-12-24-22(25)26-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-11,13,19H,12,14H2,(H,24,25)
InChIKeyBHYFWVXQYYOUML-UHFFFAOYSA-N
XLogP6.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.36
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3,5-dibromo-4-pyridinyl)prop-2-enyl]carbamate
CID 169470944
9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119
9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169470620
9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169470824
9H-fluoren-9-ylmethyl N-[3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enyl]carbamate
CID 169470883
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
CID 169468944
9H-fluoren-9-ylmethyl N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]carbamate
CID 169470634
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141
9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate
CID 169470820
9H-fluoren-9-ylmethyl N-[3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enyl]carbamate
CID 169470836
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169469145

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate (CID 169470886) is 9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1sccc1Br)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate?
The InChIKey is BHYFWVXQYYOUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO2S/c23-20-11-13-27-21(20)10-5-12-24-22(25)26-14-19-17-8-3-1-6-15(17)16-7-2-4-9-18(16)19/h1-11,13,19H,12,14H2,(H,24,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate has a molecular weight of 440.36 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(3-bromothiophen-2-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).