1-cyclopropyl-2-fluoro-4-methylbenzene;ethane

C12H17F — CID 144800459

IUPAC1-cyclopropyl-2-fluoro-4-methylbenzene;ethane
SMILESCC.Cc1ccc(C2CC2)c(F)c1
InChIInChI=1S/C10H11F.C2H6/c1-7-2-5-9(8-3-4-8)10(11)6-7;1-2/h2,5-6,8H,3-4H2,1H3;1-2H3
InChIKeyBMUUOTKXMWTLTQ-UHFFFAOYSA-N
MW180.27 g/mol
LogP4.04
Rot. Bonds1

About 1-cyclopropyl-2-fluoro-4-methylbenzene;ethane

1-cyclopropyl-2-fluoro-4-methylbenzene;ethane (PubChem CID 144800459) has the molecular formula C12H17F and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-fluoro-4-methylbenzene;ethane.

Molecular Properties

Compound Name1-cyclopropyl-2-fluoro-4-methylbenzene;ethane
PubChem CID144800459
Molecular FormulaC12H17F
Molecular Weight180.27 g/mol
Exact Mass180.13
IUPAC Name1-cyclopropyl-2-fluoro-4-methylbenzene;ethane
SMILESCC.Cc1ccc(C2CC2)c(F)c1
InChIInChI=1S/C10H11F.C2H6/c1-7-2-5-9(8-3-4-8)10(11)6-7;1-2/h2,5-6,8H,3-4H2,1H3;1-2H3
InChIKeyBMUUOTKXMWTLTQ-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-fluoro-4-methylbenzene;ethane?
The IUPAC name of 1-cyclopropyl-2-fluoro-4-methylbenzene;ethane (CID 144800459) is 1-cyclopropyl-2-fluoro-4-methylbenzene;ethane.
What is the SMILES notation for 1-cyclopropyl-2-fluoro-4-methylbenzene;ethane?
The canonical SMILES for 1-cyclopropyl-2-fluoro-4-methylbenzene;ethane is CC.Cc1ccc(C2CC2)c(F)c1.
What is the InChIKey of 1-cyclopropyl-2-fluoro-4-methylbenzene;ethane?
The InChIKey is BMUUOTKXMWTLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F.C2H6/c1-7-2-5-9(8-3-4-8)10(11)6-7;1-2/h2,5-6,8H,3-4H2,1H3;1-2H3.
What are the key properties of 1-cyclopropyl-2-fluoro-4-methylbenzene;ethane?
1-cyclopropyl-2-fluoro-4-methylbenzene;ethane has a molecular weight of 180.27 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-fluoro-4-methylbenzene;ethane is sourced from PubChem (CID 144800459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).