1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene

C24H41FO2 — CID 150917008

IUPAC1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene
SMILESCCCCCCCCC(CCCCCc1ccc(F)cc1)C(C)(OC)OC
InChIInChI=1S/C24H41FO2/c1-5-6-7-8-9-12-15-22(24(2,26-3)27-4)16-13-10-11-14-21-17-19-23(25)20-18-21/h17-20,22H,5-16H2,1-4H3
InChIKeyLDFINELKSUMMNM-UHFFFAOYSA-N
MW380.59 g/mol
LogP7.30
Rot. Bonds16

About 1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene

1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene (PubChem CID 150917008) has the molecular formula C24H41FO2 and a molecular weight of 380.59 g/mol. Its IUPAC name is 1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene
PubChem CID150917008
Molecular FormulaC24H41FO2
Molecular Weight380.59 g/mol
Exact Mass380.31
IUPAC Name1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene
SMILESCCCCCCCCC(CCCCCc1ccc(F)cc1)C(C)(OC)OC
InChIInChI=1S/C24H41FO2/c1-5-6-7-8-9-12-15-22(24(2,26-3)27-4)16-13-10-11-14-21-17-19-23(25)20-18-21/h17-20,22H,5-16H2,1-4H3
InChIKeyLDFINELKSUMMNM-UHFFFAOYSA-N
XLogP7.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.59
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-[3-(trimethoxymethyl)undecyl]benzene
CID 150959442
1-[4-[dimethoxy(propan-2-yloxy)methyl]dodecyl]-4-fluorobenzene
CID 150117713
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
N-[5-(1,1-dimethoxyethyl)tridecyl]aniline
CID 151722105
1,3-difluoro-5-[4-(2-methoxypropan-2-yl)dodecyl]benzene
CID 152738135
1-[4-(1,1-diethoxyethyl)dodecyl]-4-(trifluoromethyl)benzene
CID 150416449
1-[4-(1,1-dimethoxypropyl)dodecyl]-4-(trifluoromethyl)benzene
CID 152548606
4-[6-(1,1-dimethoxypropyl)tetradecyl]-1,2-difluorobenzene
CID 150001543
(4-fluorophenyl)-(4-octylphenyl)diazene
CID 172555601
2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
1-fluoro-3-[3-(2-methoxypropan-2-yl)undecyl]benzene
CID 150178720
5-[4-(1,1-dimethoxypropyl)dodecyl]-1,2,3-trifluorobenzene
CID 150057773

Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene?
The IUPAC name of 1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene (CID 150917008) is 1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene.
What is the SMILES notation for 1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene?
The canonical SMILES for 1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene is CCCCCCCCC(CCCCCc1ccc(F)cc1)C(C)(OC)OC.
What is the InChIKey of 1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene?
The InChIKey is LDFINELKSUMMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41FO2/c1-5-6-7-8-9-12-15-22(24(2,26-3)27-4)16-13-10-11-14-21-17-19-23(25)20-18-21/h17-20,22H,5-16H2,1-4H3.
What are the key properties of 1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene?
1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene has a molecular weight of 380.59 g/mol, XLogP of 7.30, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,1-dimethoxyethyl)tetradecyl]-4-fluorobenzene is sourced from PubChem (CID 150917008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).