1-(difluoromethyl)-2-undecan-2-yloxybenzene

C18H28F2O — CID 150271588

IUPAC1-(difluoromethyl)-2-undecan-2-yloxybenzene
SMILESCCCCCCCCCC(C)Oc1ccccc1C(F)F
InChIInChI=1S/C18H28F2O/c1-3-4-5-6-7-8-9-12-15(2)21-17-14-11-10-13-16(17)18(19)20/h10-11,13-15,18H,3-9,12H2,1-2H3
InChIKeyGDRKRVXPCLINQX-UHFFFAOYSA-N
MW298.42 g/mol
LogP6.53
Rot. Bonds11

About 1-(difluoromethyl)-2-undecan-2-yloxybenzene

1-(difluoromethyl)-2-undecan-2-yloxybenzene (PubChem CID 150271588) has the molecular formula C18H28F2O and a molecular weight of 298.42 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-undecan-2-yloxybenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-2-undecan-2-yloxybenzene
PubChem CID150271588
Molecular FormulaC18H28F2O
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name1-(difluoromethyl)-2-undecan-2-yloxybenzene
SMILESCCCCCCCCCC(C)Oc1ccccc1C(F)F
InChIInChI=1S/C18H28F2O/c1-3-4-5-6-7-8-9-12-15(2)21-17-14-11-10-13-16(17)18(19)20/h10-11,13-15,18H,3-9,12H2,1-2H3
InChIKeyGDRKRVXPCLINQX-UHFFFAOYSA-N
XLogP6.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.42
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
CID 78937923
1-(2-octan-2-yloxyphenyl)propan-1-amine
CID 112678434
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
CID 122219918
2-[(2S)-octan-2-yl]oxybenzaldehyde
CID 36690507
1-ethenyl-2-nonan-2-yloxybenzene
CID 142728019
decan-2-yloxybenzene
CID 12838331
1-heptadecan-2-yloxy-2-prop-1-en-2-ylbenzene
CID 142728021
2-[(2R)-octan-2-yl]oxybenzoic acid
CID 29003628
1-ethenyl-2-heptan-2-yloxybenzene
CID 142728020

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-undecan-2-yloxybenzene?
The IUPAC name of 1-(difluoromethyl)-2-undecan-2-yloxybenzene (CID 150271588) is 1-(difluoromethyl)-2-undecan-2-yloxybenzene.
What is the SMILES notation for 1-(difluoromethyl)-2-undecan-2-yloxybenzene?
The canonical SMILES for 1-(difluoromethyl)-2-undecan-2-yloxybenzene is CCCCCCCCCC(C)Oc1ccccc1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2-undecan-2-yloxybenzene?
The InChIKey is GDRKRVXPCLINQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2O/c1-3-4-5-6-7-8-9-12-15(2)21-17-14-11-10-13-16(17)18(19)20/h10-11,13-15,18H,3-9,12H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-2-undecan-2-yloxybenzene?
1-(difluoromethyl)-2-undecan-2-yloxybenzene has a molecular weight of 298.42 g/mol, XLogP of 6.53, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-undecan-2-yloxybenzene is sourced from PubChem (CID 150271588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).