2-fluoro-4-(2-methylpropyl)-1-propylbenzene

C13H19F — CID 58333438

IUPAC2-fluoro-4-(2-methylpropyl)-1-propylbenzene
SMILESCCCc1ccc(CC(C)C)cc1F
InChIInChI=1S/C13H19F/c1-4-5-12-7-6-11(8-10(2)3)9-13(12)14/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyKKUYHGDTABHHSN-UHFFFAOYSA-N
MW194.29 g/mol
LogP3.98
Rot. Bonds4

About 2-fluoro-4-(2-methylpropyl)-1-propylbenzene

2-fluoro-4-(2-methylpropyl)-1-propylbenzene (PubChem CID 58333438) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 2-fluoro-4-(2-methylpropyl)-1-propylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(2-methylpropyl)-1-propylbenzene
PubChem CID58333438
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name2-fluoro-4-(2-methylpropyl)-1-propylbenzene
SMILESCCCc1ccc(CC(C)C)cc1F
InChIInChI=1S/C13H19F/c1-4-5-12-7-6-11(8-10(2)3)9-13(12)14/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyKKUYHGDTABHHSN-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
4-(2-bromoethyl)-2-fluoro-1-propylbenzene
CID 19988249
2-methoxy-4-(2-methylpropyl)-1-propylbenzene
CID 90998331
2-[2-fluoro-4-(2-methylpropyl)phenyl]acetonitrile
CID 155973458
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
N-[[2-fluoro-5-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63887724
2-fluoro-1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 162550685
4-butyl-1-(2,2-difluoroethyl)-2-fluorobenzene
CID 166857103
1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene
CID 178141373
1-ethyl-2-fluoro-4-[(2R)-2-phenylpropyl]benzene
CID 71103129
2,4-difluoro-1-(2-methylpropyl)benzene;ethane;5-ethyl-1,2,3-trifluorobenzene
CID 156727058
2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline
CID 155088151

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methylpropyl)-1-propylbenzene?
The IUPAC name of 2-fluoro-4-(2-methylpropyl)-1-propylbenzene (CID 58333438) is 2-fluoro-4-(2-methylpropyl)-1-propylbenzene.
What is the SMILES notation for 2-fluoro-4-(2-methylpropyl)-1-propylbenzene?
The canonical SMILES for 2-fluoro-4-(2-methylpropyl)-1-propylbenzene is CCCc1ccc(CC(C)C)cc1F.
What is the InChIKey of 2-fluoro-4-(2-methylpropyl)-1-propylbenzene?
The InChIKey is KKUYHGDTABHHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-4-5-12-7-6-11(8-10(2)3)9-13(12)14/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of 2-fluoro-4-(2-methylpropyl)-1-propylbenzene?
2-fluoro-4-(2-methylpropyl)-1-propylbenzene has a molecular weight of 194.29 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methylpropyl)-1-propylbenzene is sourced from PubChem (CID 58333438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).