[1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate

C17H16FNO3 — CID 118874730

IUPAC[1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate
SMILESCOc1cc(-c2ccc(F)cc2)ccc1C1(OC(N)=O)CC1
InChIInChI=1S/C17H16FNO3/c1-21-15-10-12(11-2-5-13(18)6-3-11)4-7-14(15)17(8-9-17)22-16(19)20/h2-7,10H,8-9H2,1H3,(H2,19,20)
InChIKeyUVVSAWVMZBDXMP-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.59
Rot. Bonds4

About [1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate

[1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate (PubChem CID 118874730) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is [1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate.

Molecular Properties

Compound Name[1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate
PubChem CID118874730
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name[1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate
SMILESCOc1cc(-c2ccc(F)cc2)ccc1C1(OC(N)=O)CC1
InChIInChI=1S/C17H16FNO3/c1-21-15-10-12(11-2-5-13(18)6-3-11)4-7-14(15)17(8-9-17)22-16(19)20/h2-7,10H,8-9H2,1H3,(H2,19,20)
InChIKeyUVVSAWVMZBDXMP-UHFFFAOYSA-N
XLogP3.59
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate?
The IUPAC name of [1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate (CID 118874730) is [1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate.
What is the SMILES notation for [1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate?
The canonical SMILES for [1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate is COc1cc(-c2ccc(F)cc2)ccc1C1(OC(N)=O)CC1.
What is the InChIKey of [1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate?
The InChIKey is UVVSAWVMZBDXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-21-15-10-12(11-2-5-13(18)6-3-11)4-7-14(15)17(8-9-17)22-16(19)20/h2-7,10H,8-9H2,1H3,(H2,19,20).
What are the key properties of [1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate?
[1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate has a molecular weight of 301.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-fluorophenyl)-2-methoxyphenyl]cyclopropyl] carbamate is sourced from PubChem (CID 118874730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).