[(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate

C10H11BrFNO2 — CID 142806697

IUPAC[(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate
SMILESNC(=O)O[C@@H](CCF)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrFNO2/c11-8-3-1-7(2-4-8)9(5-6-12)15-10(13)14/h1-4,9H,5-6H2,(H2,13,14)/t9-/m0/s1
InChIKeyFFTMPPLSHYCDKM-VIFPVBQESA-N
MW276.11 g/mol
LogP2.95
Rot. Bonds4

About [(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate

[(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate (PubChem CID 142806697) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is [(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate.

Molecular Properties

Compound Name[(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate
PubChem CID142806697
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name[(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate
SMILESNC(=O)O[C@@H](CCF)c1ccc(Br)cc1
InChIInChI=1S/C10H11BrFNO2/c11-8-3-1-7(2-4-8)9(5-6-12)15-10(13)14/h1-4,9H,5-6H2,(H2,13,14)/t9-/m0/s1
InChIKeyFFTMPPLSHYCDKM-VIFPVBQESA-N
XLogP2.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate?
The IUPAC name of [(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate (CID 142806697) is [(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate.
What is the SMILES notation for [(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate?
The canonical SMILES for [(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate is NC(=O)O[C@@H](CCF)c1ccc(Br)cc1.
What is the InChIKey of [(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate?
The InChIKey is FFTMPPLSHYCDKM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11BrFNO2/c11-8-3-1-7(2-4-8)9(5-6-12)15-10(13)14/h1-4,9H,5-6H2,(H2,13,14)/t9-/m0/s1.
What are the key properties of [(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate?
[(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate has a molecular weight of 276.11 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-bromophenyl)-3-fluoropropyl] carbamate is sourced from PubChem (CID 142806697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).