[difluoro-(3-pentylcyclohexyl)methoxy]benzene

C18H26F2O — CID 141309399

IUPAC[difluoro-(3-pentylcyclohexyl)methoxy]benzene
SMILESCCCCCC1CCCC(C(F)(F)Oc2ccccc2)C1
InChIInChI=1S/C18H26F2O/c1-2-3-5-9-15-10-8-11-16(14-15)18(19,20)21-17-12-6-4-7-13-17/h4,6-7,12-13,15-16H,2-3,5,8-11,14H2,1H3
InChIKeyIQDDGLZFVNVERE-UHFFFAOYSA-N
MW296.40 g/mol
LogP6.04
Rot. Bonds7

About [difluoro-(3-pentylcyclohexyl)methoxy]benzene

[difluoro-(3-pentylcyclohexyl)methoxy]benzene (PubChem CID 141309399) has the molecular formula C18H26F2O and a molecular weight of 296.40 g/mol. Its IUPAC name is [difluoro-(3-pentylcyclohexyl)methoxy]benzene.

Molecular Properties

Compound Name[difluoro-(3-pentylcyclohexyl)methoxy]benzene
PubChem CID141309399
Molecular FormulaC18H26F2O
Molecular Weight296.40 g/mol
Exact Mass296.20
IUPAC Name[difluoro-(3-pentylcyclohexyl)methoxy]benzene
SMILESCCCCCC1CCCC(C(F)(F)Oc2ccccc2)C1
InChIInChI=1S/C18H26F2O/c1-2-3-5-9-15-10-8-11-16(14-15)18(19,20)21-17-12-6-4-7-13-17/h4,6-7,12-13,15-16H,2-3,5,8-11,14H2,1H3
InChIKeyIQDDGLZFVNVERE-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.40
LogP ≤ 56.04
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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Frequently Asked Questions

What is the IUPAC name of [difluoro-(3-pentylcyclohexyl)methoxy]benzene?
The IUPAC name of [difluoro-(3-pentylcyclohexyl)methoxy]benzene (CID 141309399) is [difluoro-(3-pentylcyclohexyl)methoxy]benzene.
What is the SMILES notation for [difluoro-(3-pentylcyclohexyl)methoxy]benzene?
The canonical SMILES for [difluoro-(3-pentylcyclohexyl)methoxy]benzene is CCCCCC1CCCC(C(F)(F)Oc2ccccc2)C1.
What is the InChIKey of [difluoro-(3-pentylcyclohexyl)methoxy]benzene?
The InChIKey is IQDDGLZFVNVERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2O/c1-2-3-5-9-15-10-8-11-16(14-15)18(19,20)21-17-12-6-4-7-13-17/h4,6-7,12-13,15-16H,2-3,5,8-11,14H2,1H3.
What are the key properties of [difluoro-(3-pentylcyclohexyl)methoxy]benzene?
[difluoro-(3-pentylcyclohexyl)methoxy]benzene has a molecular weight of 296.40 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-(3-pentylcyclohexyl)methoxy]benzene is sourced from PubChem (CID 141309399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).