1,3-difluoro-5-propylbenzene;fluoromethane

C10H13F3 — CID 143588669

IUPAC1,3-difluoro-5-propylbenzene;fluoromethane
SMILESCCCc1cc(F)cc(F)c1.CF
InChIInChI=1S/C9H10F2.CH3F/c1-2-3-7-4-8(10)6-9(11)5-7;1-2/h4-6H,2-3H2,1H3;1H3
InChIKeyYVVFKWKVJUDVDZ-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.50
Rot. Bonds2

About 1,3-difluoro-5-propylbenzene;fluoromethane

1,3-difluoro-5-propylbenzene;fluoromethane (PubChem CID 143588669) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is 1,3-difluoro-5-propylbenzene;fluoromethane.

Molecular Properties

Compound Name1,3-difluoro-5-propylbenzene;fluoromethane
PubChem CID143588669
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name1,3-difluoro-5-propylbenzene;fluoromethane
SMILESCCCc1cc(F)cc(F)c1.CF
InChIInChI=1S/C9H10F2.CH3F/c1-2-3-7-4-8(10)6-9(11)5-7;1-2/h4-6H,2-3H2,1H3;1H3
InChIKeyYVVFKWKVJUDVDZ-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethenyl-3-fluoro-5-propylbenzene
CID 118269346
1-fluoro-3-propyl-5-(trifluoromethoxy)benzene
CID 142581036
3-(3,5-difluorophenyl)-N-propylpropan-1-amine
CID 64504664
2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol
CID 62800447
1-fluoro-4-propylbenzene
CID 2737505
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
2,6-difluoro-4-propylaniline
CID 19781718
1-(3,5-difluorophenyl)-N-ethylheptan-4-amine
CID 105409696
N-[2-(3,5-difluorophenyl)ethyl]heptan-4-amine
CID 62604631
2-[2-(3,5-difluorophenyl)ethyl]-1,3-diethylguanidine
CID 110926509
N'-[2-(3,5-difluorophenyl)ethyl]butanimidamide
CID 63172943
6-(3,5-difluorophenyl)hexan-3-ol
CID 105409784

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-propylbenzene;fluoromethane?
The IUPAC name of 1,3-difluoro-5-propylbenzene;fluoromethane (CID 143588669) is 1,3-difluoro-5-propylbenzene;fluoromethane.
What is the SMILES notation for 1,3-difluoro-5-propylbenzene;fluoromethane?
The canonical SMILES for 1,3-difluoro-5-propylbenzene;fluoromethane is CCCc1cc(F)cc(F)c1.CF.
What is the InChIKey of 1,3-difluoro-5-propylbenzene;fluoromethane?
The InChIKey is YVVFKWKVJUDVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.CH3F/c1-2-3-7-4-8(10)6-9(11)5-7;1-2/h4-6H,2-3H2,1H3;1H3.
What are the key properties of 1,3-difluoro-5-propylbenzene;fluoromethane?
1,3-difluoro-5-propylbenzene;fluoromethane has a molecular weight of 190.21 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-propylbenzene;fluoromethane is sourced from PubChem (CID 143588669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).