1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene

C19H29F3 — CID 59882257

IUPAC1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene
SMILESCCC(C)CCCCCCC(CC)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H29F3/c1-4-14(3)10-8-6-7-9-11-15(5-2)16-12-17(20)19(22)18(21)13-16/h12-15H,4-11H2,1-3H3
InChIKeyNEBQFQBEBYJZPH-UHFFFAOYSA-N
MW314.44 g/mol
LogP6.98
Rot. Bonds10

About 1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene

1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene (PubChem CID 59882257) has the molecular formula C19H29F3 and a molecular weight of 314.44 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene
PubChem CID59882257
Molecular FormulaC19H29F3
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene
SMILESCCC(C)CCCCCCC(CC)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C19H29F3/c1-4-14(3)10-8-6-7-9-11-15(5-2)16-12-17(20)19(22)18(21)13-16/h12-15H,4-11H2,1-3H3
InChIKeyNEBQFQBEBYJZPH-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.44
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-decan-3-yl-1,2-difluorobenzene
CID 129157108
1-(3,4,5-trifluorophenyl)nonan-1-amine
CID 63417456
2,11,23-trimethylpentacosane
CID 123728262
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
5-(3,5-difluorophenyl)heptanal
CID 174797342
(1R)-1-(3,4,5-trifluorophenyl)hexan-1-amine;hydrochloride
CID 171205823
3,4,11-trimethyltridecane
CID 123211760
2,6,13-trimethylpentadecane
CID 123742386
(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 55255857
1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene
CID 90465484
hexane;3-methylnonane
CID 173294071
(3R)-3-methyloctadecane
CID 98094048

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene?
The IUPAC name of 1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene (CID 59882257) is 1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene?
The canonical SMILES for 1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene is CCC(C)CCCCCCC(CC)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene?
The InChIKey is NEBQFQBEBYJZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3/c1-4-14(3)10-8-6-7-9-11-15(5-2)16-12-17(20)19(22)18(21)13-16/h12-15H,4-11H2,1-3H3.
What are the key properties of 1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene?
1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene has a molecular weight of 314.44 g/mol, XLogP of 6.98, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene is sourced from PubChem (CID 59882257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).