[2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate

C11H11ClFNO3 — CID 175358562

IUPAC[2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate
SMILESNC(=O)OCC1CC1c1cc(Cl)c(F)cc1O
InChIInChI=1S/C11H11ClFNO3/c12-8-2-7(10(15)3-9(8)13)6-1-5(6)4-17-11(14)16/h2-3,5-6,15H,1,4H2,(H2,14,16)
InChIKeyDCCNTGFZLHBXMM-UHFFFAOYSA-N
MW259.66 g/mol
LogP2.38
Rot. Bonds3

About [2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate

[2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate (PubChem CID 175358562) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is [2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate.

Molecular Properties

Compound Name[2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate
PubChem CID175358562
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name[2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate
SMILESNC(=O)OCC1CC1c1cc(Cl)c(F)cc1O
InChIInChI=1S/C11H11ClFNO3/c12-8-2-7(10(15)3-9(8)13)6-1-5(6)4-17-11(14)16/h2-3,5-6,15H,1,4H2,(H2,14,16)
InChIKeyDCCNTGFZLHBXMM-UHFFFAOYSA-N
XLogP2.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate?
The IUPAC name of [2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate (CID 175358562) is [2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate.
What is the SMILES notation for [2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate?
The canonical SMILES for [2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate is NC(=O)OCC1CC1c1cc(Cl)c(F)cc1O.
What is the InChIKey of [2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate?
The InChIKey is DCCNTGFZLHBXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c12-8-2-7(10(15)3-9(8)13)6-1-5(6)4-17-11(14)16/h2-3,5-6,15H,1,4H2,(H2,14,16).
What are the key properties of [2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate?
[2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate has a molecular weight of 259.66 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropyl]methyl carbamate is sourced from PubChem (CID 175358562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).