(1-fluoro-1-phenylpentan-3-yl)benzene

C17H19F — CID 150013028

IUPAC(1-fluoro-1-phenylpentan-3-yl)benzene
SMILESCCC(CC(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19F/c1-2-14(15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16/h3-12,14,17H,2,13H2,1H3
InChIKeyDDRJCIYKDCZKLM-UHFFFAOYSA-N
MW242.34 g/mol
LogP5.28
Rot. Bonds5

About (1-fluoro-1-phenylpentan-3-yl)benzene

(1-fluoro-1-phenylpentan-3-yl)benzene (PubChem CID 150013028) has the molecular formula C17H19F and a molecular weight of 242.34 g/mol. Its IUPAC name is (1-fluoro-1-phenylpentan-3-yl)benzene.

Molecular Properties

Compound Name(1-fluoro-1-phenylpentan-3-yl)benzene
PubChem CID150013028
Molecular FormulaC17H19F
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name(1-fluoro-1-phenylpentan-3-yl)benzene
SMILESCCC(CC(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19F/c1-2-14(15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16/h3-12,14,17H,2,13H2,1H3
InChIKeyDDRJCIYKDCZKLM-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.34
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;pentan-3-ylbenzene
CID 19774895
ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698
(2R,4R)-2-methyl-4-phenylhexanoic acid
CID 134848322
2-methyl-4-phenylhexanoate
CID 59456763
(2S)-2-amino-4-phenylhexan-1-ol
CID 68716614
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
pentan-3-ylbenzene;selenic acid
CID 175520254
2-fluoroheptan-4-ylbenzene
CID 174378334
(1,5-difluoro-4-phenylpentan-2-yl)benzene
CID 59266877
heptan-3-ylbenzene;methane
CID 159006232
octan-3-ylbenzene
CID 519547

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-1-phenylpentan-3-yl)benzene?
The IUPAC name of (1-fluoro-1-phenylpentan-3-yl)benzene (CID 150013028) is (1-fluoro-1-phenylpentan-3-yl)benzene.
What is the SMILES notation for (1-fluoro-1-phenylpentan-3-yl)benzene?
The canonical SMILES for (1-fluoro-1-phenylpentan-3-yl)benzene is CCC(CC(F)c1ccccc1)c1ccccc1.
What is the InChIKey of (1-fluoro-1-phenylpentan-3-yl)benzene?
The InChIKey is DDRJCIYKDCZKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F/c1-2-14(15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16/h3-12,14,17H,2,13H2,1H3.
What are the key properties of (1-fluoro-1-phenylpentan-3-yl)benzene?
(1-fluoro-1-phenylpentan-3-yl)benzene has a molecular weight of 242.34 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-1-phenylpentan-3-yl)benzene is sourced from PubChem (CID 150013028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).