[1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid

C17H16F2N2O3 — CID 68530384

IUPAC[1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid
SMILESO=C(O)NCC1(COc2cncc(-c3cc(F)ccc3F)c2)CC1
InChIInChI=1S/C17H16F2N2O3/c18-12-1-2-15(19)14(6-12)11-5-13(8-20-7-11)24-10-17(3-4-17)9-21-16(22)23/h1-2,5-8,21H,3-4,9-10H2,(H,22,23)
InChIKeyYSSHILWWKHGLRN-UHFFFAOYSA-N
MW334.32 g/mol
LogP3.45
Rot. Bonds6

About [1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid

[1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid (PubChem CID 68530384) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is [1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid.

Molecular Properties

Compound Name[1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid
PubChem CID68530384
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name[1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid
SMILESO=C(O)NCC1(COc2cncc(-c3cc(F)ccc3F)c2)CC1
InChIInChI=1S/C17H16F2N2O3/c18-12-1-2-15(19)14(6-12)11-5-13(8-20-7-11)24-10-17(3-4-17)9-21-16(22)23/h1-2,5-8,21H,3-4,9-10H2,(H,22,23)
InChIKeyYSSHILWWKHGLRN-UHFFFAOYSA-N
XLogP3.45
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid?
The IUPAC name of [1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid (CID 68530384) is [1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid.
What is the SMILES notation for [1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid?
The canonical SMILES for [1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid is O=C(O)NCC1(COc2cncc(-c3cc(F)ccc3F)c2)CC1.
What is the InChIKey of [1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid?
The InChIKey is YSSHILWWKHGLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c18-12-1-2-15(19)14(6-12)11-5-13(8-20-7-11)24-10-17(3-4-17)9-21-16(22)23/h1-2,5-8,21H,3-4,9-10H2,(H,22,23).
What are the key properties of [1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid?
[1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid has a molecular weight of 334.32 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(2,5-difluorophenyl)-3-pyridinyl]oxymethyl]cyclopropyl]methylcarbamic acid is sourced from PubChem (CID 68530384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).