1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea

C16H20F2N2O2 — CID 136543883

IUPAC1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea
SMILESCC1Oc2ccccc2C1NC(=O)NC1CCCC(F)(F)C1
InChIInChI=1S/C16H20F2N2O2/c1-10-14(12-6-2-3-7-13(12)22-10)20-15(21)19-11-5-4-8-16(17,18)9-11/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H2,19,20,21)
InChIKeyRNIPGNZHXDZWDU-UHFFFAOYSA-N
MW310.34 g/mol
LogP3.39
Rot. Bonds2

About 1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea

1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea (PubChem CID 136543883) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea
PubChem CID136543883
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea
SMILESCC1Oc2ccccc2C1NC(=O)NC1CCCC(F)(F)C1
InChIInChI=1S/C16H20F2N2O2/c1-10-14(12-6-2-3-7-13(12)22-10)20-15(21)19-11-5-4-8-16(17,18)9-11/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H2,19,20,21)
InChIKeyRNIPGNZHXDZWDU-UHFFFAOYSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea (CID 136543883) is 1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea is CC1Oc2ccccc2C1NC(=O)NC1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea?
The InChIKey is RNIPGNZHXDZWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-10-14(12-6-2-3-7-13(12)22-10)20-15(21)19-11-5-4-8-16(17,18)9-11/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea?
1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea has a molecular weight of 310.34 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-3-(2-methyl-2,3-dihydro-1-benzofuran-3-yl)urea is sourced from PubChem (CID 136543883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).