1,2-difluoro-4-propylbenzene;methane

C11H18F2 — CID 160697343

IUPAC1,2-difluoro-4-propylbenzene;methane
SMILESC.C.CCCc1ccc(F)c(F)c1
InChIInChI=1S/C9H10F2.2CH4/c1-2-3-7-4-5-8(10)9(11)6-7;;/h4-6H,2-3H2,1H3;2*1H4
InChIKeyRQDYAUHJGMILAH-UHFFFAOYSA-N
MW188.26 g/mol
LogP4.19
Rot. Bonds2

About 1,2-difluoro-4-propylbenzene;methane

1,2-difluoro-4-propylbenzene;methane (PubChem CID 160697343) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is 1,2-difluoro-4-propylbenzene;methane.

Molecular Properties

Compound Name1,2-difluoro-4-propylbenzene;methane
PubChem CID160697343
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name1,2-difluoro-4-propylbenzene;methane
SMILESC.C.CCCc1ccc(F)c(F)c1
InChIInChI=1S/C9H10F2.2CH4/c1-2-3-7-4-5-8(10)9(11)6-7;;/h4-6H,2-3H2,1H3;2*1H4
InChIKeyRQDYAUHJGMILAH-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408
2-tert-butyl-1-fluoro-4-propylbenzene
CID 139403848
2-fluoro-N,N-dimethyl-4-propylaniline
CID 89112656
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
1,2-difluoro-4-(2-methoxyethyl)benzene
CID 18372069
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
1,2-difluoro-4-(2-methylsulfanylethyl)benzene
CID 130735643
2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine
CID 65302851
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene
CID 141308047
2-fluoro-4-propylbenzamide
CID 175786906
1,2-difluoro-4-pent-3-ynylbenzene
CID 83936202

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-propylbenzene;methane?
The IUPAC name of 1,2-difluoro-4-propylbenzene;methane (CID 160697343) is 1,2-difluoro-4-propylbenzene;methane.
What is the SMILES notation for 1,2-difluoro-4-propylbenzene;methane?
The canonical SMILES for 1,2-difluoro-4-propylbenzene;methane is C.C.CCCc1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-propylbenzene;methane?
The InChIKey is RQDYAUHJGMILAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.2CH4/c1-2-3-7-4-5-8(10)9(11)6-7;;/h4-6H,2-3H2,1H3;2*1H4.
What are the key properties of 1,2-difluoro-4-propylbenzene;methane?
1,2-difluoro-4-propylbenzene;methane has a molecular weight of 188.26 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-propylbenzene;methane is sourced from PubChem (CID 160697343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).