2-fluoro-1-methyl-3-propylbenzene

C10H13F — CID 54557935

IUPAC2-fluoro-1-methyl-3-propylbenzene
SMILESCCCc1cccc(C)c1F
InChIInChI=1S/C10H13F/c1-3-5-9-7-4-6-8(2)10(9)11/h4,6-7H,3,5H2,1-2H3
InChIKeyACOKMBZYZHEXED-UHFFFAOYSA-N
MW152.21 g/mol
LogP3.09
Rot. Bonds2

About 2-fluoro-1-methyl-3-propylbenzene

2-fluoro-1-methyl-3-propylbenzene (PubChem CID 54557935) has the molecular formula C10H13F and a molecular weight of 152.21 g/mol. Its IUPAC name is 2-fluoro-1-methyl-3-propylbenzene.

Molecular Properties

Compound Name2-fluoro-1-methyl-3-propylbenzene
PubChem CID54557935
Molecular FormulaC10H13F
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name2-fluoro-1-methyl-3-propylbenzene
SMILESCCCc1cccc(C)c1F
InChIInChI=1S/C10H13F/c1-3-5-9-7-4-6-8(2)10(9)11/h4,6-7H,3,5H2,1-2H3
InChIKeyACOKMBZYZHEXED-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-fluoro-3-propylphenyl)methanamine
CID 139576799
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406
2-fluoro-3-propylbenzaldehyde
CID 174795778
1-(3-chlorobutyl)-2-fluoro-3-methylbenzene
CID 130921212
2-(2-fluoro-3-methylphenyl)ethanesulfinate
CID 67547054
2-(2-fluoro-3-methylphenyl)ethanesulfinic acid
CID 67547055
4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
2-fluoro-1-methyl-3-(propylsulfonylmethyl)benzene
CID 18337029
2-chloro-1-methyl-3-propylbenzene;formaldehyde
CID 177230855
1-methyl-2,3-bis(2-propylphenyl)benzene
CID 123997531
1-chloro-3-(2-fluoro-3-methylphenyl)propan-2-one
CID 130881857
CID 160803924
CID 160803924

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-3-propylbenzene?
The IUPAC name of 2-fluoro-1-methyl-3-propylbenzene (CID 54557935) is 2-fluoro-1-methyl-3-propylbenzene.
What is the SMILES notation for 2-fluoro-1-methyl-3-propylbenzene?
The canonical SMILES for 2-fluoro-1-methyl-3-propylbenzene is CCCc1cccc(C)c1F.
What is the InChIKey of 2-fluoro-1-methyl-3-propylbenzene?
The InChIKey is ACOKMBZYZHEXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F/c1-3-5-9-7-4-6-8(2)10(9)11/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-fluoro-1-methyl-3-propylbenzene?
2-fluoro-1-methyl-3-propylbenzene has a molecular weight of 152.21 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-3-propylbenzene is sourced from PubChem (CID 54557935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).