CID 59875928

C16H19F2O — CID 59875928

IUPAC—
SMILESC=CCOc1ccc([C]2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C16H19F2O/c1-3-10-19-14-9-8-13(15(17)16(14)18)12-6-4-11(2)5-7-12/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyXOMFBWAGBMXWOM-UHFFFAOYSA-N
MW265.32 g/mol
LogP4.66
Rot. Bonds4

About CID 59875928

CID 59875928 (PubChem CID 59875928) has the molecular formula C16H19F2O and a molecular weight of 265.32 g/mol.

Molecular Properties

Compound NameCID 59875928
PubChem CID59875928
Molecular FormulaC16H19F2O
Molecular Weight265.32 g/mol
Exact Mass265.14
IUPAC Name—
SMILESC=CCOc1ccc([C]2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C16H19F2O/c1-3-10-19-14-9-8-13(15(17)16(14)18)12-6-4-11(2)5-7-12/h3,8-9,11H,1,4-7,10H2,2H3
InChIKeyXOMFBWAGBMXWOM-UHFFFAOYSA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluoro-4-methoxyphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 118191628
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-prop-2-enoxybenzene
CID 88998143
1-(4-cyclohexylphenyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 134359475
1-[4-(4-ethylcyclohexyl)phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 134358599
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-prop-2-enoxybenzene
CID 67730219
CID 164823730
CID 164823730
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 163533849
1-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 102290250
1-(4-cyclohexylcyclohexen-1-yl)-4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67739870
2-[4-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)phenyl]-2,3-difluorophenyl]-5-methylpyrimidine
CID 143773181
1-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluoro-4-[(E)-pent-2-enoxy]benzene
CID 67748684
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467

Frequently Asked Questions

What is the IUPAC name of CID 59875928?
The IUPAC name of CID 59875928 (CID 59875928) is not available.
What is the SMILES notation for CID 59875928?
The canonical SMILES for CID 59875928 is C=CCOc1ccc([C]2CCC(C)CC2)c(F)c1F.
What is the InChIKey of CID 59875928?
The InChIKey is XOMFBWAGBMXWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2O/c1-3-10-19-14-9-8-13(15(17)16(14)18)12-6-4-11(2)5-7-12/h3,8-9,11H,1,4-7,10H2,2H3.
What are the key properties of CID 59875928?
CID 59875928 has a molecular weight of 265.32 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59875928 is sourced from PubChem (CID 59875928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).