2-fluoroheptan-4-ylbenzene

C13H19F — CID 174378334

IUPAC2-fluoroheptan-4-ylbenzene
SMILESCCCC(CC(C)F)c1ccccc1
InChIInChI=1S/C13H19F/c1-3-7-13(10-11(2)14)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3
InChIKeyVEIOCMUOFNTDIQ-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.32
Rot. Bonds5

About 2-fluoroheptan-4-ylbenzene

2-fluoroheptan-4-ylbenzene (PubChem CID 174378334) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 2-fluoroheptan-4-ylbenzene.

Molecular Properties

Compound Name2-fluoroheptan-4-ylbenzene
PubChem CID174378334
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name2-fluoroheptan-4-ylbenzene
SMILESCCCC(CC(C)F)c1ccccc1
InChIInChI=1S/C13H19F/c1-3-7-13(10-11(2)14)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3
InChIKeyVEIOCMUOFNTDIQ-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-diphenylhexan-3-ylbenzene
CID 57087261
[(6R)-7-ethyl-6-methylnonan-4-yl]benzene
CID 153439336
4,6-diphenylnonane-1,1-diol
CID 162161241
[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
CID 119080873
1-chloropentan-2-ylbenzene
CID 524326
2-phenylpentan-1-amine
CID 14321247
(3,7-diphenyl-1-propyloctyl)benzene;methane;7-phenyldecan-4-ylbenzene
CID 158364228
(1-pentyl-3-phenylheptyl)benzene
CID 154153436
pentan-2-ylbenzene
CID 17627
6,8-dimethoxyoctan-4-ylbenzene
CID 175195889
3-phenyl-N-(1-phenylethyl)hexan-1-amine
CID 139750954
4,7-diphenyloctan-2-ylbenzene
CID 21184937

Frequently Asked Questions

What is the IUPAC name of 2-fluoroheptan-4-ylbenzene?
The IUPAC name of 2-fluoroheptan-4-ylbenzene (CID 174378334) is 2-fluoroheptan-4-ylbenzene.
What is the SMILES notation for 2-fluoroheptan-4-ylbenzene?
The canonical SMILES for 2-fluoroheptan-4-ylbenzene is CCCC(CC(C)F)c1ccccc1.
What is the InChIKey of 2-fluoroheptan-4-ylbenzene?
The InChIKey is VEIOCMUOFNTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-3-7-13(10-11(2)14)12-8-5-4-6-9-12/h4-6,8-9,11,13H,3,7,10H2,1-2H3.
What are the key properties of 2-fluoroheptan-4-ylbenzene?
2-fluoroheptan-4-ylbenzene has a molecular weight of 194.29 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroheptan-4-ylbenzene is sourced from PubChem (CID 174378334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).